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

C13H19ClN2O — CID 21388286

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O/c1-11(17)10-15-6-8-16(9-7-15)13-4-2-12(14)3-5-13/h2-5,11,17H,6-10H2,1H3
InChIKeyBBQRKTNOXYWZPF-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.84
Rot. Bonds3

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

1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol (PubChem CID 21388286) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
PubChem CID21388286
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
SMILESCC(O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H19ClN2O/c1-11(17)10-15-6-8-16(9-7-15)13-4-2-12(14)3-5-13/h2-5,11,17H,6-10H2,1H3
InChIKeyBBQRKTNOXYWZPF-UHFFFAOYSA-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

(2S)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 39357220
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropanenitrile
CID 43367389
1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
CID 90407356
(2S)-1-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol
CID 66710890
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
1-(4-chlorophenyl)-4-[(2S)-2,6-dimethylhept-5-enyl]piperazine
CID 782883
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 3583119
1-(4-chlorophenyl)-4-(2-methyl-3-methylsulfonylpropyl)piperazine
CID 75379331
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
1-(4-chlorophenyl)-4-(4-methylpentyl)piperazine
CID 59966261
1-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]ethanol
CID 62777793
4-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylbutan-1-amine
CID 81079308

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol (CID 21388286) is 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol is CC(O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is BBQRKTNOXYWZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-11(17)10-15-6-8-16(9-7-15)13-4-2-12(14)3-5-13/h2-5,11,17H,6-10H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol?
1-[4-(4-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 1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 21388286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).