3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol

C18H28N2O — CID 75408371

IUPAC3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
SMILESOc1cccc(CNC2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H28N2O/c21-18-6-4-5-15(13-18)14-19-16-7-9-17(10-8-16)20-11-2-1-3-12-20/h4-6,13,16-17,19,21H,1-3,7-12,14H2
InChIKeyGMRPAVNKCZVUKW-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.28
Rot. Bonds4

About 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol

3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol (PubChem CID 75408371) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
PubChem CID75408371
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol
SMILESOc1cccc(CNC2CCC(N3CCCCC3)CC2)c1
InChIInChI=1S/C18H28N2O/c21-18-6-4-5-15(13-18)14-19-16-7-9-17(10-8-16)20-11-2-1-3-12-20/h4-6,13,16-17,19,21H,1-3,7-12,14H2
InChIKeyGMRPAVNKCZVUKW-UHFFFAOYSA-N
XLogP3.28
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[[3-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62412416
3-[(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)methyl]phenol
CID 43752315
3-[[(4-propylcyclohexyl)amino]methyl]phenol
CID 54962735
2-[4-[(3-hydroxyphenyl)methylamino]piperidin-1-yl]acetamide
CID 43746822
3-[[(1-propylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43747980
N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
4-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 107685595
1-cyclopropyl-N-(naphthalen-2-ylmethyl)piperidin-4-amine
CID 43234184
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2-(3-hydroxyphenyl)acetamide
CID 118771156
3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol
CID 131946815

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol?
The IUPAC name of 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol (CID 75408371) is 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol.
What is the SMILES notation for 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol?
The canonical SMILES for 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol is Oc1cccc(CNC2CCC(N3CCCCC3)CC2)c1.
What is the InChIKey of 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol?
The InChIKey is GMRPAVNKCZVUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18-6-4-5-15(13-18)14-19-16-7-9-17(10-8-16)20-11-2-1-3-12-20/h4-6,13,16-17,19,21H,1-3,7-12,14H2.
What are the key properties of 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol?
3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol has a molecular weight of 288.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-piperidin-1-ylcyclohexyl)amino]methyl]phenol is sourced from PubChem (CID 75408371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).