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

C12H17ClN2O — CID 103911762

IUPAC1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2ccnc(Cl)c2)CCCCC1
InChIInChI=1S/C12H17ClN2O/c13-11-8-10(4-7-14-11)15-9-12(16)5-2-1-3-6-12/h4,7-8,16H,1-3,5-6,9H2,(H,14,15)
InChIKeyAZONDBCULUDZBE-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.84
Rot. Bonds3

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

1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol (PubChem CID 103911762) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
PubChem CID103911762
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol
SMILESOC1(CNc2ccnc(Cl)c2)CCCCC1
InChIInChI=1S/C12H17ClN2O/c13-11-8-10(4-7-14-11)15-9-12(16)5-2-1-3-6-12/h4,7-8,16H,1-3,5-6,9H2,(H,14,15)
InChIKeyAZONDBCULUDZBE-UHFFFAOYSA-N
XLogP2.84
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
CID 131008554
methyl 4-[(1-hydroxycycloheptyl)methylamino]pyridine-2-carboxylate
CID 66287095
1-[[(2-chloropyrimidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 65122552
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
1-[[(3-chloropyrazin-2-yl)amino]methyl]cycloheptan-1-ol
CID 65122500
2-[(1-hydroxycycloheptyl)methylamino]pyridine-4-carbonitrile
CID 65122274
1-[[(3-chloropyrazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 65108811
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-[[(6-chloro-2-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 65109143
1-[(3,5-difluoroanilino)methyl]cyclohexan-1-ol
CID 60900892
1-[[(4-aminopyrimidin-2-yl)amino]methyl]cycloheptan-1-ol
CID 116795995

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol (CID 103911762) is 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol is OC1(CNc2ccnc(Cl)c2)CCCCC1.
What is the InChIKey of 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is AZONDBCULUDZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-8-10(4-7-14-11)15-9-12(16)5-2-1-3-6-12/h4,7-8,16H,1-3,5-6,9H2,(H,14,15).
What are the key properties of 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol?
1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol has a molecular weight of 240.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-chloro-4-pyridinyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 103911762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).