2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol

C18H28N2O — CID 60612219

IUPAC2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c21-18-7-3-2-6-17(18)19-14-15-8-10-16(11-9-15)20-12-4-1-5-13-20/h8-11,17-19,21H,1-7,12-14H2
InChIKeyDJADDBOZFPTXRL-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.07
Rot. Bonds4

About 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol

2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol (PubChem CID 60612219) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
PubChem CID60612219
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
SMILESOC1CCCCC1NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H28N2O/c21-18-7-3-2-6-17(18)19-14-15-8-10-16(11-9-15)20-12-4-1-5-13-20/h8-11,17-19,21H,1-7,12-14H2
InChIKeyDJADDBOZFPTXRL-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
2-[(4-methylphenyl)methylamino]cyclohexan-1-ol
CID 60714627
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
trans-(1R,2R)-2-[(4-propan-2-ylphenyl)methylamino]cyclohexan-1-ol
CID 104923295
cis-(1S,2R)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 39345640
cis-(1R,2S)-2-[(4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 93317511
1-[(3R,4R)-4-[[4-(azepan-1-yl)phenyl]methylamino]-3-methylpiperidin-1-yl]ethanone
CID 97093520
3-ethyl-2-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]cyclopentan-1-amine
CID 64921747

Frequently Asked Questions

What is the IUPAC name of 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol (CID 60612219) is 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol is OC1CCCCC1NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol?
The InChIKey is DJADDBOZFPTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c21-18-7-3-2-6-17(18)19-14-15-8-10-16(11-9-15)20-12-4-1-5-13-20/h8-11,17-19,21H,1-7,12-14H2.
What are the key properties of 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol?
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 60612219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).