1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol

C26H28ClN3O — CID 3379250

IUPAC1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2cc(Cl)ccc21
InChIInChI=1S/C26H28ClN3O/c27-21-10-11-26-24(16-21)23-8-4-5-9-25(23)30(26)19-22(31)18-29-14-12-28(13-15-29)17-20-6-2-1-3-7-20/h1-11,16,22,31H,12-15,17-19H2
InChIKeyQPLPTHSTXJTSFQ-UHFFFAOYSA-N
MW433.98 g/mol
LogP4.63
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol

1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol (PubChem CID 3379250) has the molecular formula C26H28ClN3O and a molecular weight of 433.98 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol
PubChem CID3379250
Molecular FormulaC26H28ClN3O
Molecular Weight433.98 g/mol
Exact Mass433.19
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2cc(Cl)ccc21
InChIInChI=1S/C26H28ClN3O/c27-21-10-11-26-24(16-21)23-8-4-5-9-25(23)30(26)19-22(31)18-29-14-12-28(13-15-29)17-20-6-2-1-3-7-20/h1-11,16,22,31H,12-15,17-19H2
InChIKeyQPLPTHSTXJTSFQ-UHFFFAOYSA-N
XLogP4.63
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol (CID 3379250) is 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol is OC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol?
The InChIKey is QPLPTHSTXJTSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O/c27-21-10-11-26-24(16-21)23-8-4-5-9-25(23)30(26)19-22(31)18-29-14-12-28(13-15-29)17-20-6-2-1-3-7-20/h1-11,16,22,31H,12-15,17-19H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol has a molecular weight of 433.98 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(3-chlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 3379250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).