1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride

C16H20Cl2N2O — CID 3057511

IUPAC1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride
SMILESCN(C)CCC(O)(c1ccc(Cl)cc1)c1ccccn1.Cl
InChIInChI=1S/C16H19ClN2O.ClH/c1-19(2)12-10-16(20,15-5-3-4-11-18-15)13-6-8-14(17)9-7-13;/h3-9,11,20H,10,12H2,1-2H3;1H
InChIKeyFLVWBIDROQTLJN-UHFFFAOYSA-N
MW327.25 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride

1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride (PubChem CID 3057511) has the molecular formula C16H20Cl2N2O and a molecular weight of 327.25 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride
PubChem CID3057511
Molecular FormulaC16H20Cl2N2O
Molecular Weight327.25 g/mol
Exact Mass326.10
IUPAC Name1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride
SMILESCN(C)CCC(O)(c1ccc(Cl)cc1)c1ccccn1.Cl
InChIInChI=1S/C16H19ClN2O.ClH/c1-19(2)12-10-16(20,15-5-3-4-11-18-15)13-6-8-14(17)9-7-13;/h3-9,11,20H,10,12H2,1-2H3;1H
InChIKeyFLVWBIDROQTLJN-UHFFFAOYSA-N
XLogP3.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Pirmenol Hydrochloride
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Alpha,alpha-diphenyl-2-pyridinemethanol
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CID 10427620
2-Morpholin-4-yl-1-phenyl-1-pyridin-2-ylethanol
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Carbinoxamine fumarate
CID 6506779
Doxylamine alcohol
CID 86883
(4-Chlorophenyl)(pyridin-2-yl)methanol
CID 97719

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride (CID 3057511) is 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride is CN(C)CCC(O)(c1ccc(Cl)cc1)c1ccccn1.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride?
The InChIKey is FLVWBIDROQTLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O.ClH/c1-19(2)12-10-16(20,15-5-3-4-11-18-15)13-6-8-14(17)9-7-13;/h3-9,11,20H,10,12H2,1-2H3;1H.
What are the key properties of 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride?
1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride has a molecular weight of 327.25 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(dimethylamino)-1-pyridin-2-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 3057511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).