[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol

C19H30N2O — CID 83949101

IUPAC[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c22-15-17-7-3-2-6-16(17)14-20-18-8-10-19(11-9-18)21-12-4-1-5-13-21/h8-11,16-17,20,22H,1-7,12-15H2
InChIKeyQXPZLKDEUBKEQZ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.89
Rot. Bonds5

About [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol

[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol (PubChem CID 83949101) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol
PubChem CID83949101
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol
SMILESOCC1CCCCC1CNc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C19H30N2O/c22-15-17-7-3-2-6-16(17)14-20-18-8-10-19(11-9-18)21-12-4-1-5-13-21/h8-11,16-17,20,22H,1-7,12-15H2
InChIKeyQXPZLKDEUBKEQZ-UHFFFAOYSA-N
XLogP3.89
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol 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-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
[2-[[4-(ethylamino)anilino]methyl]cyclohexyl]methanol
CID 83962394
4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
[2-[(3,4-dimethylanilino)methyl]cyclohexyl]methanol
CID 83961364
N-(cyclohexylmethyl)-4-(4-methylpiperidin-1-yl)aniline
CID 83949888
6-(4-piperidin-1-ylanilino)hexan-1-ol
CID 103867999
N-ethyl-4-piperidin-1-ylaniline;dihydrochloride
CID 23366971
2-(4-pyrrolidin-1-ylanilino)acetamide
CID 60674358
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
1-(4-piperidin-1-ylanilino)propan-2-ol
CID 63179403
1-[(4-pyrrolidin-1-ylanilino)methyl]cyclohexan-1-ol
CID 63179697
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 62064398

Frequently Asked Questions

What is the IUPAC name of [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol?
The IUPAC name of [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol (CID 83949101) is [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol is OCC1CCCCC1CNc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol?
The InChIKey is QXPZLKDEUBKEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c22-15-17-7-3-2-6-16(17)14-20-18-8-10-19(11-9-18)21-12-4-1-5-13-21/h8-11,16-17,20,22H,1-7,12-15H2.
What are the key properties of [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol?
[2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol has a molecular weight of 302.46 g/mol, XLogP of 3.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-piperidin-1-ylanilino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 83949101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).