4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol

C20H30N2O — CID 163689273

IUPAC4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C/C(=N/C2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O/c1-22-14-12-20(23,13-15-22)16-19(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3/b21-19-
InChIKeyJRNOCYAWXDROTC-VZCXRCSSSA-N
MW314.47 g/mol
LogP3.66
Rot. Bonds4

About 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol

4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol (PubChem CID 163689273) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol
PubChem CID163689273
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol
SMILESCN1CCC(O)(C/C(=N/C2CCCCC2)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O/c1-22-14-12-20(23,13-15-22)16-19(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3/b21-19-
InChIKeyJRNOCYAWXDROTC-VZCXRCSSSA-N
XLogP3.66
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-(2-phenylethyl)piperidin-4-ol
CID 10751359
2-(4-hydroxy-1-methylpiperidin-4-yl)-1-piperidin-1-ylethanone
CID 175786218
N-cyclohexyl-2-fluoro-1-phenylbutan-1-imine
CID 11983653
2-bromo-N-cyclohexyl-1-phenylpropan-1-imine
CID 11087669
1-methyl-4-(3-phenylpropyl)piperidin-4-ol
CID 65146368
4-(2-amino-2-phenylethyl)-1-methylpiperidin-4-ol
CID 11791140
N-cyclohexyl-2-phenylbut-1-en-1-imine
CID 134921734
1-(N-cyclohexyl-C-phenylcarbonimidoyl)-4,5-dimethylpyrazole-3-carboxylic acid
CID 20977795
4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 135409198
N-[(3S)-1-benzoylpiperidin-3-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 95906190
1-benzyl-4-[4-(cyclohexylmethyl)-1-methylpiperidin-4-yl]piperazine
CID 59639412
4-[(2-chlorophenyl)methyl]-1-methylazepan-4-ol
CID 65075284

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol?
The IUPAC name of 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol (CID 163689273) is 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol is CN1CCC(O)(C/C(=N/C2CCCCC2)c2ccccc2)CC1.
What is the InChIKey of 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol?
The InChIKey is JRNOCYAWXDROTC-VZCXRCSSSA-N. The full InChI is InChI=1S/C20H30N2O/c1-22-14-12-20(23,13-15-22)16-19(17-8-4-2-5-9-17)21-18-10-6-3-7-11-18/h2,4-5,8-9,18,23H,3,6-7,10-16H2,1H3/b21-19-.
What are the key properties of 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol?
4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol has a molecular weight of 314.47 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexylimino-2-phenylethyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 163689273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).