(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride

C15H23Cl3N2O — CID 171190034

IUPAC(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-15(2,10-20)14(19-8-6-18-7-9-19)11-4-3-5-12(16)13(11)17;/h3-5,14,18,20H,6-10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyKHJKHXUMSVAQMP-UQKRIMTDSA-N
MW353.72 g/mol
LogP3.38
Rot. Bonds4

About (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride

(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride (PubChem CID 171190034) has the molecular formula C15H23Cl3N2O and a molecular weight of 353.72 g/mol. Its IUPAC name is (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
PubChem CID171190034
Molecular FormulaC15H23Cl3N2O
Molecular Weight353.72 g/mol
Exact Mass352.09
IUPAC Name(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl
InChIInChI=1S/C15H22Cl2N2O.ClH/c1-15(2,10-20)14(19-8-6-18-7-9-19)11-4-3-5-12(16)13(11)17;/h3-5,14,18,20H,6-10H2,1-2H3;1H/t14-;/m0./s1
InChIKeyKHJKHXUMSVAQMP-UQKRIMTDSA-N
XLogP3.38
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.72
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(2-chloro-3-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171176270
1-[(1R)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171289935
1-[(1S)-1-(2,3-dichlorophenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171277310
(3R)-3-[2-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171178289
(3S)-2,2-dimethyl-3-piperazin-1-yl-3-(2,3,5-trichlorophenyl)propan-1-ol
CID 171190927
(3R)-3-(2-chloro-6-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171175887
2-[(1S)-3-hydroxy-2,2-dimethyl-1-piperazin-1-ylpropyl]benzoic acid;hydrochloride
CID 171189956
(3S)-3-(2-tert-butylsulfanylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171190872
(3R)-3-(2-ethoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171189996
(3R)-3-(2-chloro-5-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171176463
(3S)-3-(3-fluoro-2-methylphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171175810
(3S)-3-(2,3-dichloro-6-fluorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171181372

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride (CID 171190034) is (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride is CC(C)(CO)[C@H](c1cccc(Cl)c1Cl)N1CCNCC1.Cl.
What is the InChIKey of (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
The InChIKey is KHJKHXUMSVAQMP-UQKRIMTDSA-N. The full InChI is InChI=1S/C15H22Cl2N2O.ClH/c1-15(2,10-20)14(19-8-6-18-7-9-19)11-4-3-5-12(16)13(11)17;/h3-5,14,18,20H,6-10H2,1-2H3;1H/t14-;/m0./s1.
What are the key properties of (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride?
(3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride has a molecular weight of 353.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dichlorophenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride is sourced from PubChem (CID 171190034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).