5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride

C29H33ClN2O — CID 122483259

IUPAC5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
SMILESCl.O=C(CCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H32N2O.ClH/c32-29(31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)16-8-9-19-30-20-17-24(18-21-30)22-23-10-2-1-3-11-23;/h1-7,10-15,24H,8-9,16-22H2;1H
InChIKeyCRAAWYVHIRAVQL-UHFFFAOYSA-N
MW461.05 g/mol
LogP6.98
Rot. Bonds7

About 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride

5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride (PubChem CID 122483259) has the molecular formula C29H33ClN2O and a molecular weight of 461.05 g/mol. Its IUPAC name is 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
PubChem CID122483259
Molecular FormulaC29H33ClN2O
Molecular Weight461.05 g/mol
Exact Mass460.23
IUPAC Name5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
SMILESCl.O=C(CCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H32N2O.ClH/c32-29(31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)16-8-9-19-30-20-17-24(18-21-30)22-23-10-2-1-3-11-23;/h1-7,10-15,24H,8-9,16-22H2;1H
InChIKeyCRAAWYVHIRAVQL-UHFFFAOYSA-N
XLogP6.98
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.05
LogP ≤ 56.98
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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Related Compounds

5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483225
1-carbazol-9-yl-5-(4-methylpiperazin-1-yl)pentan-1-one;hydrochloride
CID 122483255
5-(4-acetylpiperazin-1-yl)-1-carbazol-9-ylpentan-1-one
CID 122483226
5-(4-benzylpiperidin-1-yl)pentanehydrazide
CID 18621443
5-(4-benzylpiperidin-1-yl)-N'-hydroxypentanimidamide
CID 76905947
1-carbazol-9-yl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-one
CID 122483254
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
3-(4-benzylpiperidin-1-yl)propanehydrazide
CID 63572694
4-(3-phenylpropyl)-1-[4-[4-(3-phenylpropyl)piperidin-1-yl]butyl]piperidine;dihydrochloride
CID 70096793
3-(3-benzylpyrrolidin-1-yl)propanoic acid
CID 119138114
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
The IUPAC name of 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride (CID 122483259) is 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride.
What is the SMILES notation for 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
The canonical SMILES for 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride is Cl.O=C(CCCCN1CCC(Cc2ccccc2)CC1)n1c2ccccc2c2ccccc21.
What is the InChIKey of 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
The InChIKey is CRAAWYVHIRAVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O.ClH/c32-29(31-27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)16-8-9-19-30-20-17-24(18-21-30)22-23-10-2-1-3-11-23;/h1-7,10-15,24H,8-9,16-22H2;1H.
What are the key properties of 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride?
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride has a molecular weight of 461.05 g/mol, XLogP of 6.98, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride is sourced from PubChem (CID 122483259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).