1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride

C28H32ClN3O2 — CID 127026515

IUPAC1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C28H31N3O2.ClH/c32-27-15-8-7-14-26(27)30-20-18-29(19-21-30)17-9-1-2-16-28(33)31-24-12-5-3-10-22(24)23-11-4-6-13-25(23)31;/h3-8,10-15,32H,1-2,9,16-21H2;1H
InChIKeyOGPCEZKIXQTBRH-UHFFFAOYSA-N
MW478.04 g/mol
LogP5.94
Rot. Bonds7

About 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride

1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride (PubChem CID 127026515) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride
PubChem CID127026515
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC Name1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C28H31N3O2.ClH/c32-27-15-8-7-14-26(27)30-20-18-29(19-21-30)17-9-1-2-16-28(33)31-24-12-5-3-10-22(24)23-11-4-6-13-25(23)31;/h3-8,10-15,32H,1-2,9,16-21H2;1H
InChIKeyOGPCEZKIXQTBRH-UHFFFAOYSA-N
XLogP5.94
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
The IUPAC name of 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride (CID 127026515) is 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride.
What is the SMILES notation for 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
The canonical SMILES for 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride is Cl.O=C(CCCCCN1CCN(c2ccccc2O)CC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
The InChIKey is OGPCEZKIXQTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2.ClH/c32-27-15-8-7-14-26(27)30-20-18-29(19-21-30)17-9-1-2-16-28(33)31-24-12-5-3-10-22(24)23-11-4-6-13-25(23)31;/h3-8,10-15,32H,1-2,9,16-21H2;1H.
What are the key properties of 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride?
1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride has a molecular weight of 478.04 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]hexan-1-one;hydrochloride is sourced from PubChem (CID 127026515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).