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3-Methylpiperidin-3-ol

CAT: 0926-FM54788-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FM54788-01Size:100 mg
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CAS Number
473730-88-0
MDL Number
MFCD09864347
Smiles
CC1 (CCCNC1) O
Molecular Formula
C6H13NO
Molecular Weight
115.17 g/mol
Controlled
No

Chemical Information

3-Methylpiperidin-3-ol
CAS Number473730-88-0
PubChem CID22496626
IUPAC Name3-methylpiperidin-3-ol
Molecular FormulaC6H13NO
Molecular Weight115.17
XLogP-0.1
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity84
SMILES
CC1(CCCNC1)O
InChI
InChI=1S/C6H13NO/c1-6(8)3-2-4-7-5-6/h7-8H,2-5H2,1H3
InChIKey
LLDKGUNKYFJNPV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methylpiperidin-3-ol
CAS: 473730-88-0
CID: 22496626
Formula: C6H13NO
MW: 115.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.17
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass115.099714038
Monoisotopic Mass115.099714038
Topological Polar Surface Area32.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity84.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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