1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol

C14H19ClN2O — CID 90407356

IUPAC1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
SMILESC=CC(O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-14(18)11-16-7-9-17(10-8-16)13-5-3-12(15)4-6-13/h2-6,14,18H,1,7-11H2
InChIKeyGZVDXAZOWGNWCY-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.01
Rot. Bonds4

About 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol

1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol (PubChem CID 90407356) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
PubChem CID90407356
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol
SMILESC=CC(O)CN1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C14H19ClN2O/c1-2-14(18)11-16-7-9-17(10-8-16)13-5-3-12(15)4-6-13/h2-6,14,18H,1,7-11H2
InChIKeyGZVDXAZOWGNWCY-UHFFFAOYSA-N
XLogP2.01
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 21388286
4-[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]phenol
CID 110884687
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-[(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
3-[4-(4-chlorophenyl)piperazin-1-yl]-2-methylpropanenitrile
CID 43367389
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylsulfanylpropan-2-ol
CID 92856413
2-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-3-ylethanol
CID 3044996
3-[4-(4-chlorophenyl)piperazin-1-yl]-2,2-dimethylpropan-1-ol
CID 62270034
1-(4-chlorophenoxy)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol dichloride
CID 21236715
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol?
The IUPAC name of 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol (CID 90407356) is 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol.
What is the SMILES notation for 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol?
The canonical SMILES for 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol is C=CC(O)CN1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol?
The InChIKey is GZVDXAZOWGNWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-2-14(18)11-16-7-9-17(10-8-16)13-5-3-12(15)4-6-13/h2-6,14,18H,1,7-11H2.
What are the key properties of 1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol?
1-[4-(4-chlorophenyl)piperazin-1-yl]but-3-en-2-ol has a molecular weight of 266.77 g/mol, XLogP of 2.01, 4 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]but-3-en-2-ol is sourced from PubChem (CID 90407356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).