1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol

C27H31N3O2 — CID 3625828

IUPAC1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(CN2CCN(CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-32-23-12-10-21(11-13-23)18-28-14-16-29(17-15-28)19-22(31)20-30-26-8-4-2-6-24(26)25-7-3-5-9-27(25)30/h2-13,22,31H,14-20H2,1H3
InChIKeyWXIZYRMWFYFBOF-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.98
Rot. Bonds7

About 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol

1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol (PubChem CID 3625828) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
PubChem CID3625828
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC Name1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol
SMILESCOc1ccc(CN2CCN(CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-32-23-12-10-21(11-13-23)18-28-14-16-29(17-15-28)19-22(31)20-30-26-8-4-2-6-24(26)25-7-3-5-9-27(25)30/h2-13,22,31H,14-20H2,1H3
InChIKeyWXIZYRMWFYFBOF-UHFFFAOYSA-N
XLogP3.98
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol (CID 3625828) is 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol is COc1ccc(CN2CCN(CC(O)Cn3c4ccccc4c4ccccc43)CC2)cc1.
What is the InChIKey of 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
The InChIKey is WXIZYRMWFYFBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-32-23-12-10-21(11-13-23)18-28-14-16-29(17-15-28)19-22(31)20-30-26-8-4-2-6-24(26)25-7-3-5-9-27(25)30/h2-13,22,31H,14-20H2,1H3.
What are the key properties of 1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol?
1-carbazol-9-yl-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol has a molecular weight of 429.56 g/mol, XLogP of 3.98, 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-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3625828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).