1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol

C21H34N2O — CID 111925768

IUPAC1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
SMILESCC(NCc1ccccc1CN1CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C21H34N2O/c1-17(18-7-3-2-4-8-18)22-15-19-9-5-6-10-20(19)16-23-13-11-21(24)12-14-23/h5-6,9-10,17-18,21-22,24H,2-4,7-8,11-16H2,1H3
InChIKeyWKWPGISDYRJLAE-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.70
Rot. Bonds6

About 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 111925768) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
PubChem CID111925768
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol
SMILESCC(NCc1ccccc1CN1CCC(O)CC1)C1CCCCC1
InChIInChI=1S/C21H34N2O/c1-17(18-7-3-2-4-8-18)22-15-19-9-5-6-10-20(19)16-23-13-11-21(24)12-14-23/h5-6,9-10,17-18,21-22,24H,2-4,7-8,11-16H2,1H3
InChIKeyWKWPGISDYRJLAE-UHFFFAOYSA-N
XLogP3.70
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

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1-cyclohexyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 62405544
methyl 2-[2-[[[(1R)-1-cyclohexylethyl]amino]methyl]phenyl]acetate
CID 115462242
N-[(2-bromophenyl)methyl]-1-cyclohexylethanamine
CID 63453704
1-[[2-[[1-(3-hydroxyphenyl)ethylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 131961953
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
N-(1-cyclohexylethyl)-2-(pyrrolidin-1-ylmethyl)aniline
CID 43788848
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
1-[[2-[[(2-methylphenyl)methylamino]methyl]phenyl]methyl]piperidin-4-ol
CID 111778128

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol (CID 111925768) is 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol is CC(NCc1ccccc1CN1CCC(O)CC1)C1CCCCC1.
What is the InChIKey of 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is WKWPGISDYRJLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-17(18-7-3-2-4-8-18)22-15-19-9-5-6-10-20(19)16-23-13-11-21(24)12-14-23/h5-6,9-10,17-18,21-22,24H,2-4,7-8,11-16H2,1H3.
What are the key properties of 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 330.52 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(1-cyclohexylethylamino)methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 111925768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).