1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol

C11H17ClN2O — CID 115345875

IUPAC1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
SMILESCN(C)CCC(O)Cc1ccncc1Cl
InChIInChI=1S/C11H17ClN2O/c1-14(2)6-4-10(15)7-9-3-5-13-8-11(9)12/h3,5,8,10,15H,4,6-7H2,1-2H3
InChIKeyGFGSPDCEBTZSGU-UHFFFAOYSA-N
MW228.72 g/mol
LogP1.59
Rot. Bonds5

About 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol

1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol (PubChem CID 115345875) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
PubChem CID115345875
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol
SMILESCN(C)CCC(O)Cc1ccncc1Cl
InChIInChI=1S/C11H17ClN2O/c1-14(2)6-4-10(15)7-9-3-5-13-8-11(9)12/h3,5,8,10,15H,4,6-7H2,1-2H3
InChIKeyGFGSPDCEBTZSGU-UHFFFAOYSA-N
XLogP1.59
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-pyridinyl)-4-ethylsulfanylbutan-2-ol
CID 116504536
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011
1-(3-chloro-4-pyridinyl)-3-(oxolan-3-yl)propan-2-ol
CID 103986580
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
4-(dimethylamino)-1-(2-methylphenyl)butan-2-ol
CID 115345853
1-(3-chloro-4-pyridinyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79047726
1-(7-bicyclo[4.1.0]heptanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655798
5-[(3-chloro-4-pyridinyl)methyl-methylamino]pentan-1-ol
CID 107203900
5-chloro-3-[(3-chloro-4-pyridinyl)methyl]pentan-2-one
CID 103344218
1-(6-bicyclo[3.1.0]hexanyl)-2-(3-chloro-4-pyridinyl)ethanol
CID 112655734
3-(3-chloro-4-pyridinyl)-2-methyl-1-phenylpropan-1-ol
CID 113460152
2-(3-chloro-4-pyridinyl)-1-[1-(diethylamino)cyclopentyl]ethanol
CID 79069940

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol (CID 115345875) is 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol is CN(C)CCC(O)Cc1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol?
The InChIKey is GFGSPDCEBTZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-14(2)6-4-10(15)7-9-3-5-13-8-11(9)12/h3,5,8,10,15H,4,6-7H2,1-2H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol?
1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol has a molecular weight of 228.72 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-(dimethylamino)butan-2-ol is sourced from PubChem (CID 115345875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).