(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol

C13H19ClN2O — CID 39357220

IUPAC(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O/c1-11(17)10-15-5-7-16(8-6-15)13-4-2-3-12(14)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyZJHNEFHGZBNPHS-NSHDSACASA-N
MW254.76 g/mol
LogP1.84
Rot. Bonds3

About (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol

(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 39357220) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID39357220
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C13H19ClN2O/c1-11(17)10-15-5-7-16(8-6-15)13-4-2-3-12(14)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-/m0/s1
InChIKeyZJHNEFHGZBNPHS-NSHDSACASA-N
XLogP1.84
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
1-[3-[4-(3-chlorophenyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidine-2,5-dione
CID 10247408
1-(4-bromophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]ethanol
CID 2767002
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(3,4-dimethoxyphenyl)ethanol
CID 53180160
3-[(3-chlorophenyl)methyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylpentan-3-ol
CID 10310023
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 1325664
1-(2-butan-2-ylphenoxy)-3-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 4093852
(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol
CID 1325567
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
3-[4-(3-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270193
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107020823

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol (CID 39357220) is (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is ZJHNEFHGZBNPHS-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-11(17)10-15-5-7-16(8-6-15)13-4-2-3-12(14)9-13/h2-4,9,11,17H,5-8,10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol?
(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 254.76 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 39357220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).