2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol

C13H19ClN2O — CID 113394727

IUPAC2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccncc1Cl
InChIInChI=1S/C13H19ClN2O/c14-11-9-15-7-6-10(11)8-16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5,8H2
InChIKeyRMYOMEDTXCNVFD-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.52
Rot. Bonds3

About 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol

2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol (PubChem CID 113394727) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
PubChem CID113394727
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol
SMILESOC1CCCCCC1NCc1ccncc1Cl
InChIInChI=1S/C13H19ClN2O/c14-11-9-15-7-6-10(11)8-16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5,8H2
InChIKeyRMYOMEDTXCNVFD-UHFFFAOYSA-N
XLogP2.52
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chloro-4-fluorophenyl)methylamino]cyclohexan-1-ol
CID 62359472
N-[(3-chloro-4-pyridinyl)methyl]-2-cyclopropyloxolan-3-amine
CID 103580798
2-[(2-hydroxyphenyl)methylamino]cycloheptan-1-ol
CID 113394671
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
2-[(2,3-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 60612644
2-[(4-chlorophenyl)methylamino]cycloheptan-1-ol
CID 60901146
(1R)-N-[(3-chloro-4-pyridinyl)methyl]-1-cyclopentylethanamine
CID 81394526
2-[1-[(3-chloro-4-pyridinyl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 114339522
trans-(1R,2R)-2-(pyrazin-2-ylmethylamino)cyclopentan-1-ol
CID 126846554
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
trans-(1S,2S)-2-[(2-chlorothiophen-3-yl)methylamino]cyclopentan-1-ol
CID 130698269
2-chloro-6-[[(2-hydroxycyclopentyl)amino]methyl]phenol
CID 115907651

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol?
The IUPAC name of 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol (CID 113394727) is 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol.
What is the SMILES notation for 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol?
The canonical SMILES for 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol is OC1CCCCCC1NCc1ccncc1Cl.
What is the InChIKey of 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol?
The InChIKey is RMYOMEDTXCNVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-9-15-7-6-10(11)8-16-12-4-2-1-3-5-13(12)17/h6-7,9,12-13,16-17H,1-5,8H2.
What are the key properties of 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol?
2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol has a molecular weight of 254.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-pyridinyl)methylamino]cycloheptan-1-ol is sourced from PubChem (CID 113394727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).