4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol

C13H26N2O — CID 126846027

IUPAC4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol
SMILESCC1CCC(NCC2(O)CCNCC2)CC1
InChIInChI=1S/C13H26N2O/c1-11-2-4-12(5-3-11)15-10-13(16)6-8-14-9-7-13/h11-12,14-16H,2-10H2,1H3
InChIKeyPGVROQPRCDBHIF-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.27
Rot. Bonds3

About 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol

4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol (PubChem CID 126846027) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol
PubChem CID126846027
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol
SMILESCC1CCC(NCC2(O)CCNCC2)CC1
InChIInChI=1S/C13H26N2O/c1-11-2-4-12(5-3-11)15-10-13(16)6-8-14-9-7-13/h11-12,14-16H,2-10H2,1H3
InChIKeyPGVROQPRCDBHIF-UHFFFAOYSA-N
XLogP1.27
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclopropylamino)methyl]pyrrolidin-3-ol;hydrochloride
CID 19805339
3-[(piperidin-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452360
1-[(cyclopropylamino)methyl]-4-methylcycloheptan-1-ol
CID 65082633
1-[(cyclobutylamino)methyl]-4-methylcyclohexan-1-ol
CID 65115377
1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65107657
4-methyl-1-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 65117892
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-4-carboxamide
CID 65119685
3-[(oxan-4-ylamino)methyl]pyrrolidin-3-ol
CID 105452951
4-ethyl-1-[[(3-methylcyclopentyl)amino]methyl]cyclohexan-1-ol
CID 65116235
4-amino-1-[(cyclopropylamino)methyl]cyclohexan-1-ol
CID 105441357
4-ethyl-1-[[(4-ethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65116333
1-[[(2,2-dimethyloxan-4-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65118095

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol?
The IUPAC name of 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol (CID 126846027) is 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol.
What is the SMILES notation for 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol?
The canonical SMILES for 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol is CC1CCC(NCC2(O)CCNCC2)CC1.
What is the InChIKey of 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol?
The InChIKey is PGVROQPRCDBHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-2-4-12(5-3-11)15-10-13(16)6-8-14-9-7-13/h11-12,14-16H,2-10H2,1H3.
What are the key properties of 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol?
4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol has a molecular weight of 226.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylcyclohexyl)amino]methyl]piperidin-4-ol is sourced from PubChem (CID 126846027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).