4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride

C29H36ClN3O — CID 44587926

IUPAC4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C29H35N3O.ClH/c33-25-15-13-24(14-16-25)8-7-18-31-22-20-30(21-23-31)17-5-6-19-32-28-11-3-1-9-26(28)27-10-2-4-12-29(27)32;/h1-4,9-16,33H,5-8,17-23H2;1H
InChIKeyWFIGVYIFTLIQHT-UHFFFAOYSA-N
MW478.08 g/mol
LogP5.95
Rot. Bonds9

About 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride

4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride (PubChem CID 44587926) has the molecular formula C29H36ClN3O and a molecular weight of 478.08 g/mol. Its IUPAC name is 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride.

Molecular Properties

Compound Name4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride
PubChem CID44587926
Molecular FormulaC29H36ClN3O
Molecular Weight478.08 g/mol
Exact Mass477.25
IUPAC Name4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride
SMILESCl.Oc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C29H35N3O.ClH/c33-25-15-13-24(14-16-25)8-7-18-31-22-20-30(21-23-31)17-5-6-19-32-28-11-3-1-9-26(28)27-10-2-4-12-29(27)32;/h1-4,9-16,33H,5-8,17-23H2;1H
InChIKeyWFIGVYIFTLIQHT-UHFFFAOYSA-N
XLogP5.95
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.08
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride?
The IUPAC name of 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride (CID 44587926) is 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride.
What is the SMILES notation for 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride?
The canonical SMILES for 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride is Cl.Oc1ccc(CCCN2CCN(CCCCn3c4ccccc4c4ccccc43)CC2)cc1.
What is the InChIKey of 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride?
The InChIKey is WFIGVYIFTLIQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O.ClH/c33-25-15-13-24(14-16-25)8-7-18-31-22-20-30(21-23-31)17-5-6-19-32-28-11-3-1-9-26(28)27-10-2-4-12-29(27)32;/h1-4,9-16,33H,5-8,17-23H2;1H.
What are the key properties of 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride?
4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride has a molecular weight of 478.08 g/mol, XLogP of 5.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-carbazol-9-ylbutyl)piperazin-1-yl]propyl]phenol;hydrochloride is sourced from PubChem (CID 44587926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).