1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol

C27H38N2O2 — CID 143036775

IUPAC1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCNC1CCCN(CC(c2ccc(OCc3ccccc3)cc2)C2(O)CCCCC2)C1
InChIInChI=1S/C27H38N2O2/c1-28-24-11-8-18-29(19-24)20-26(27(30)16-6-3-7-17-27)23-12-14-25(15-13-23)31-21-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,24,26,28,30H,3,6-8,11,16-21H2,1H3
InChIKeyPTPGSUFPFNDQJD-UHFFFAOYSA-N
MW422.61 g/mol
LogP4.73
Rot. Bonds8

About 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol

1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol (PubChem CID 143036775) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
PubChem CID143036775
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol
SMILESCNC1CCCN(CC(c2ccc(OCc3ccccc3)cc2)C2(O)CCCCC2)C1
InChIInChI=1S/C27H38N2O2/c1-28-24-11-8-18-29(19-24)20-26(27(30)16-6-3-7-17-27)23-12-14-25(15-13-23)31-21-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,24,26,28,30H,3,6-8,11,16-21H2,1H3
InChIKeyPTPGSUFPFNDQJD-UHFFFAOYSA-N
XLogP4.73
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.61
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Desmethylvenlafaxine
CID 3501942
1-(6-{[4-(1,1-Dimethylethyl)phenyl]oxy}hexyl)piperazine
CID 410637
1-(2-(2-Ethoxyphenyl)-1-phenylethyl)piperazine
CID 11289879
4-(Spiro[chromene-2,4''-piperidine]-4-yl)phenol
CID 25129433
1-(1-Phenyl-2-(2-propoxyphenyl)ethyl)piperazine
CID 44414723
2-((trans-2-(4-(Benzyloxy)phenyl)cyclopropyl)amino)-1-(4-methylpiperazin-1-yl)ethanone
CID 45376076
1-(4-methylpiperazin-1-yl)-2-[[(1S,2R)-2-(4-phenylmethoxyphenyl)cyclopropyl]amino]ethanone
CID 60149007
(2-Isopropoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 10268178
1-[3-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949667
4-[4-[4-(3-Piperidin-1-ylpropoxy)phenyl]cyclohexyl]morpholine
CID 11977494
N,N-dimethyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 11978858
N-butyl-4-[4-(3-piperidin-1-ylpropoxy)phenyl]cyclohexan-1-amine
CID 56658589

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
The IUPAC name of 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol (CID 143036775) is 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol is CNC1CCCN(CC(c2ccc(OCc3ccccc3)cc2)C2(O)CCCCC2)C1.
What is the InChIKey of 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
The InChIKey is PTPGSUFPFNDQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-28-24-11-8-18-29(19-24)20-26(27(30)16-6-3-7-17-27)23-12-14-25(15-13-23)31-21-22-9-4-2-5-10-22/h2,4-5,9-10,12-15,24,26,28,30H,3,6-8,11,16-21H2,1H3.
What are the key properties of 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol?
1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol has a molecular weight of 422.61 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(methylamino)piperidin-1-yl]-1-(4-phenylmethoxyphenyl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 143036775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).