SRI-011381

CAT: 0607-BA9083-100Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0607-BA9083-100Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1629138-41-5

Form

A solid

Molecular Formula

C20H31N3O

Molecular Weight

329.48

Shipping Conditions

Blue ice

Storage Conditions

4°C, protect from light.

Chemical Information

1-Benzyl-3-cyclohexyl-1-(piperidin-4-ylmethyl)urea

CAS Number	1629138-41-5
PubChem CID	77050694
IUPAC Name	1-benzyl-3-cyclohexyl-1-(piperidin-4-ylmethyl)urea
Molecular Formula	C20H31N3O
Molecular Weight	329.5
XLogP	3.2
Topological Polar Surface Area	44.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	369

SMILES

C1CCC(CC1)NC(=O)N(CC2CCNCC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H31N3O/c24-20(22-19-9-5-2-6-10-19)23(15-17-7-3-1-4-8-17)16-18-11-13-21-14-12-18/h1,3-4,7-8,18-19,21H,2,5-6,9-16H2,(H,22,24)

InChIKey

LNOPAJNGRAPFKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1629138-41-5

CID: 77050694

Formula: C20H31N3O

MW: 329.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.5
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	329.246712621
Monoisotopic Mass	329.246712621
Topological Polar Surface Area	44.4 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	369
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes