2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol

C12H17ClN2O — CID 102824414

IUPAC2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc(Cl)c1)C1CCCCC1O
InChIInChI=1S/C12H17ClN2O/c1-15(9-6-7-14-12(13)8-9)10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3
InChIKeyQRKOSIKEINMPCY-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.47
Rot. Bonds2

About 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol

2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol (PubChem CID 102824414) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
PubChem CID102824414
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
SMILESCN(c1ccnc(Cl)c1)C1CCCCC1O
InChIInChI=1S/C12H17ClN2O/c1-15(9-6-7-14-12(13)8-9)10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3
InChIKeyQRKOSIKEINMPCY-UHFFFAOYSA-N
XLogP2.47
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[(2-chloro-4-pyridinyl)-methylamino]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

2-[methyl-(2-methyl-4-pyridinyl)amino]cyclohexan-1-ol
CID 102635956
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102640081
2-chloro-N-(2-hydroxycyclohexyl)-N-methylpyridine-4-carboxamide
CID 102631830
2-chloro-N-methyl-N-(3-methylcyclohexyl)pyridin-4-amine
CID 102824064
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
CID 102633855
2-chloro-N-(cyclobutylmethyl)-N-methylpyridin-4-amine
CID 103756840
2-[(2-hydroxycyclohexyl)-methylamino]pyridine-4-carboxylic acid
CID 102632507
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
6-chloro-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632530
2-[(3-fluoro-2-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102635994
2-[(2-chloro-4-pyridinyl)-methylamino]propan-1-ol
CID 103873023

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol (CID 102824414) is 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol is CN(c1ccnc(Cl)c1)C1CCCCC1O.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol?
The InChIKey is QRKOSIKEINMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-15(9-6-7-14-12(13)8-9)10-4-2-3-5-11(10)16/h6-8,10-11,16H,2-5H2,1H3.
What are the key properties of 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol?
2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102824414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).