2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol

C16H25ClN2O — CID 79069940

IUPAC2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
SMILESCCN(CC)C1(C(O)Cc2ccncc2Cl)CCCC1
InChIInChI=1S/C16H25ClN2O/c1-3-19(4-2)16(8-5-6-9-16)15(20)11-13-7-10-18-12-14(13)17/h7,10,12,15,20H,3-6,8-9,11H2,1-2H3
InChIKeyAVXFYKOOGQANLL-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.29
Rot. Bonds6

About 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol

2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol (PubChem CID 79069940) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
PubChem CID79069940
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
SMILESCCN(CC)C1(C(O)Cc2ccncc2Cl)CCCC1
InChIInChI=1S/C16H25ClN2O/c1-3-19(4-2)16(8-5-6-9-16)15(20)11-13-7-10-18-12-14(13)17/h7,10,12,15,20H,3-6,8-9,11H2,1-2H3
InChIKeyAVXFYKOOGQANLL-UHFFFAOYSA-N
XLogP3.29
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-diethylcyclopentan-1-amine
CID 79059412
2-(3-chloro-4-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 112655719
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanone
CID 79070162
1-[2-(3-chloro-4-pyridinyl)-1-(methylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064182
1-[2-(3-chloro-4-pyridinyl)-1-hydrazinylethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243834
1-[1-(diethylamino)cyclopentyl]-2-(4-ethylphenyl)ethanol
CID 79058910
2-(2-amino-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79070793
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
CID 115345875
1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol (CID 79069940) is 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol is CCN(CC)C1(C(O)Cc2ccncc2Cl)CCCC1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol?
The InChIKey is AVXFYKOOGQANLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-3-19(4-2)16(8-5-6-9-16)15(20)11-13-7-10-18-12-14(13)17/h7,10,12,15,20H,3-6,8-9,11H2,1-2H3.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol?
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol has a molecular weight of 296.84 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol is sourced from PubChem (CID 79069940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).