1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol

C13H26N2O — CID 165444075

IUPAC1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2(N)CCCNC2)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)5-7-13(16,8-6-11)12(14)4-3-9-15-10-12/h15-16H,3-10,14H2,1-2H3
InChIKeyUVTSPSJJPRUWBJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.40
Rot. Bonds1

About 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol

1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 165444075) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID165444075
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)(C2(N)CCCNC2)CC1
InChIInChI=1S/C13H26N2O/c1-11(2)5-7-13(16,8-6-11)12(14)4-3-9-15-10-12/h15-16H,3-10,14H2,1-2H3
InChIKeyUVTSPSJJPRUWBJ-UHFFFAOYSA-N
XLogP1.40
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,5,8,8-tetramethyl-azacycloundecane
CID 154959364
(3S)-3-methylpiperidin-3-ol;hydrochloride
CID 138393705
cyclobutanol;3,3-dimethylpiperidine
CID 166077953
4,4-dimethylcyclohexane-1,1-diol
CID 139914363
N-cyclopropyl-N-methyl-2-(3-methylpiperidin-3-yl)oxyacetamide
CID 107385622
(3-methylpiperidin-3-yl)methanol
CID 19594566
3,3-dimethylazocane;methane
CID 144639099
(3S)-3-fluoro-3-methylpiperidine
CID 97009658
3-(1-aminobutyl)piperidin-3-ol
CID 82411763
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
3-(2-methylprop-1-enyl)piperidin-3-ol
CID 79190008

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol (CID 165444075) is 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)(C2(N)CCCNC2)CC1.
What is the InChIKey of 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is UVTSPSJJPRUWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11(2)5-7-13(16,8-6-11)12(14)4-3-9-15-10-12/h15-16H,3-10,14H2,1-2H3.
What are the key properties of 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol?
1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.40, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-3-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165444075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).