[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol

C13H19ClN2O — CID 112697538

IUPAC[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccncc2Cl)CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-11-8-15-7-4-12(11)16-9-13(10-17)5-2-1-3-6-13/h4,7-8,17H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyBDPNGGZKBGQFES-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.09
Rot. Bonds4

About [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol

[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol (PubChem CID 112697538) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
PubChem CID112697538
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNc2ccncc2Cl)CCCCC1
InChIInChI=1S/C13H19ClN2O/c14-11-8-15-7-4-12(11)16-9-13(10-17)5-2-1-3-6-13/h4,7-8,17H,1-3,5-6,9-10H2,(H,15,16)
InChIKeyBDPNGGZKBGQFES-UHFFFAOYSA-N
XLogP3.09
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
CID 103968372
[1-[[(3-fluoro-4-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 164657514
1-[[(3-chloro-4-pyridinyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 79841693
[1-[[2-chloro-4-(trifluoromethyl)anilino]methyl]cyclohexyl]methanol
CID 81400977
[1-[(pyrazin-2-ylamino)methyl]cyclopentyl]methanol
CID 115360623
[1-[(3-chloro-4-pyridinyl)methyl]cyclobutyl]methanol
CID 66024332
2-chloro-6-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 103966844
4-[[(3-chloro-4-pyridinyl)amino]methyl]oxane-4-carboxamide
CID 84595497
2-chloro-6-[[1-(hydroxymethyl)cyclopentyl]methylamino]benzonitrile
CID 115360414
[1-[(cinnolin-4-ylamino)methyl]cyclopentyl]methanol
CID 115360663
5-chloro-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzonitrile
CID 112697546

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol (CID 112697538) is [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol is OCC1(CNc2ccncc2Cl)CCCCC1.
What is the InChIKey of [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
The InChIKey is BDPNGGZKBGQFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c14-11-8-15-7-4-12(11)16-9-13(10-17)5-2-1-3-6-13/h4,7-8,17H,1-3,5-6,9-10H2,(H,15,16).
What are the key properties of [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol?
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol has a molecular weight of 254.76 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 112697538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).