1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol

C26H29N3O — CID 2841332

IUPAC1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H29N3O/c30-22(19-28-16-14-27(15-17-28)18-21-8-2-1-3-9-21)20-29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-13,22,30H,14-20H2
InChIKeyXKOVUBDUNUHXSO-UHFFFAOYSA-N
MW399.54 g/mol
LogP3.97
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol

1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol (PubChem CID 2841332) has the molecular formula C26H29N3O and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
PubChem CID2841332
Molecular FormulaC26H29N3O
Molecular Weight399.54 g/mol
Exact Mass399.23
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol
SMILESOC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C26H29N3O/c30-22(19-28-16-14-27(15-17-28)18-21-8-2-1-3-9-21)20-29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-13,22,30H,14-20H2
InChIKeyXKOVUBDUNUHXSO-UHFFFAOYSA-N
XLogP3.97
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2851937
(2S)-1-(4-benzylpiperazin-1-yl)-3-(1,2,3,4-tetrahydrocarbazol-9-yl)propan-2-ol
CID 2256274
(2R)-1-(4-benzylpiperazin-1-yl)-3-(2,3-dimethylindol-1-yl)propan-2-ol;oxalic acid
CID 21235149
1-carbazol-9-yl-3-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66742656
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-(3-bromocarbazol-9-yl)-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 66741784
1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 3752241
(2S)-1-carbazol-9-yl-3-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 1385608
(2R)-1-carbazol-9-yl-3-[4-(4-chlorophenyl)piperazin-1-yl]propan-2-ol
CID 1109966
1-(4-benzylpiperazin-1-yl)-3-chloropropan-2-ol
CID 11777838
(2R)-1-(3-bromocarbazol-9-yl)-3-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 92764423
1-(3-bromocarbazol-9-yl)-3-[4-(3-carbazol-9-yl-2-hydroxypropyl)piperazin-1-yl]propan-2-ol
CID 3098890

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol (CID 2841332) is 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol is OC(CN1CCN(Cc2ccccc2)CC1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol?
The InChIKey is XKOVUBDUNUHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O/c30-22(19-28-16-14-27(15-17-28)18-21-8-2-1-3-9-21)20-29-25-12-6-4-10-23(25)24-11-5-7-13-26(24)29/h1-13,22,30H,14-20H2.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol?
1-(4-benzylpiperazin-1-yl)-3-carbazol-9-ylpropan-2-ol has a molecular weight of 399.54 g/mol, XLogP of 3.97, 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-carbazol-9-ylpropan-2-ol is sourced from PubChem (CID 2841332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).