9-pentyl-3-(piperidin-1-ylmethyl)carbazole

C23H30N2 — CID 73351137

IUPAC9-pentyl-3-(piperidin-1-ylmethyl)carbazole
SMILESCCCCCn1c2ccccc2c2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C23H30N2/c1-2-3-7-16-25-22-11-6-5-10-20(22)21-17-19(12-13-23(21)25)18-24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3
InChIKeyNTCPKTSBLCDRJZ-UHFFFAOYSA-N
MW334.51 g/mol
LogP5.97
Rot. Bonds6

About 9-pentyl-3-(piperidin-1-ylmethyl)carbazole

9-pentyl-3-(piperidin-1-ylmethyl)carbazole (PubChem CID 73351137) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 9-pentyl-3-(piperidin-1-ylmethyl)carbazole.

Molecular Properties

Compound Name9-pentyl-3-(piperidin-1-ylmethyl)carbazole
PubChem CID73351137
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name9-pentyl-3-(piperidin-1-ylmethyl)carbazole
SMILESCCCCCn1c2ccccc2c2cc(CN3CCCCC3)ccc21
InChIInChI=1S/C23H30N2/c1-2-3-7-16-25-22-11-6-5-10-20(22)21-17-19(12-13-23(21)25)18-24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3
InChIKeyNTCPKTSBLCDRJZ-UHFFFAOYSA-N
XLogP5.97
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9-pentyl-3-(piperidin-1-ylmethyl)carbazole?
The IUPAC name of 9-pentyl-3-(piperidin-1-ylmethyl)carbazole (CID 73351137) is 9-pentyl-3-(piperidin-1-ylmethyl)carbazole.
What is the SMILES notation for 9-pentyl-3-(piperidin-1-ylmethyl)carbazole?
The canonical SMILES for 9-pentyl-3-(piperidin-1-ylmethyl)carbazole is CCCCCn1c2ccccc2c2cc(CN3CCCCC3)ccc21.
What is the InChIKey of 9-pentyl-3-(piperidin-1-ylmethyl)carbazole?
The InChIKey is NTCPKTSBLCDRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2/c1-2-3-7-16-25-22-11-6-5-10-20(22)21-17-19(12-13-23(21)25)18-24-14-8-4-9-15-24/h5-6,10-13,17H,2-4,7-9,14-16,18H2,1H3.
What are the key properties of 9-pentyl-3-(piperidin-1-ylmethyl)carbazole?
9-pentyl-3-(piperidin-1-ylmethyl)carbazole has a molecular weight of 334.51 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-pentyl-3-(piperidin-1-ylmethyl)carbazole is sourced from PubChem (CID 73351137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).