6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride

C30H35ClN2O — CID 122483234

IUPAC6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H34N2O.ClH/c33-30(32-28-15-8-6-13-26(28)27-14-7-9-16-29(27)32)17-5-2-10-20-31-21-18-25(19-22-31)23-24-11-3-1-4-12-24;/h1,3-4,6-9,11-16,25H,2,5,10,17-23H2;1H
InChIKeyNOAXFWNXXYETEO-UHFFFAOYSA-N
MW475.08 g/mol
LogP7.37
Rot. Bonds8

About 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride

6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride (PubChem CID 122483234) has the molecular formula C30H35ClN2O and a molecular weight of 475.08 g/mol. Its IUPAC name is 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride.

Molecular Properties

Compound Name6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride
PubChem CID122483234
Molecular FormulaC30H35ClN2O
Molecular Weight475.08 g/mol
Exact Mass474.24
IUPAC Name6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride
SMILESCl.O=C(CCCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C30H34N2O.ClH/c33-30(32-28-15-8-6-13-26(28)27-14-7-9-16-29(27)32)17-5-2-10-20-31-21-18-25(19-22-31)23-24-11-3-1-4-12-24;/h1,3-4,6-9,11-16,25H,2,5,10,17-23H2;1H
InChIKeyNOAXFWNXXYETEO-UHFFFAOYSA-N
XLogP7.37
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.08
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride?
The IUPAC name of 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride (CID 122483234) is 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride.
What is the SMILES notation for 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride?
The canonical SMILES for 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride is Cl.O=C(CCCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride?
The InChIKey is NOAXFWNXXYETEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O.ClH/c33-30(32-28-15-8-6-13-26(28)27-14-7-9-16-29(27)32)17-5-2-10-20-31-21-18-25(19-22-31)23-24-11-3-1-4-12-24;/h1,3-4,6-9,11-16,25H,2,5,10,17-23H2;1H.
What are the key properties of 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride?
6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride has a molecular weight of 475.08 g/mol, XLogP of 7.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylhexan-1-one;hydrochloride is sourced from PubChem (CID 122483234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).