6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

C24H29NO — CID 11234470

IUPAC6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)18-25-15-13-20(14-16-25)17-19-7-2-1-3-8-19/h1-5,7-9,12,20,22H,6,10-11,13-18H2
InChIKeyZGDALBOHMZZJLL-UHFFFAOYSA-N
MW347.50 g/mol
LogP4.78
Rot. Bonds4

About 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one

6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 11234470) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID11234470
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1CN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)18-25-15-13-20(14-16-25)17-19-7-2-1-3-8-19/h1-5,7-9,12,20,22H,6,10-11,13-18H2
InChIKeyZGDALBOHMZZJLL-UHFFFAOYSA-N
XLogP4.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5511
Melperone
CID 15387
Eperisone
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Tolperisone Hydrochloride
CID 92965
Eperisone Hydrochloride
CID 123698
Lenperone
CID 32593
Norpipanone
CID 22391
3-Piperidinopropiophenone hydrochloride
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1-Phenyl-5-(piperidin-1-yl)pentan-1-one
CID 262634
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3-[Methyl(3-oxo-3-phenylpropyl)amino]-1-phenylpropan-1-one
CID 408365
3-(Dimethylamino)-2-methylpropiophenone hydrochloride
CID 199992

Frequently Asked Questions

What is the IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 11234470) is 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1c2ccccc2CCCC1CN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is ZGDALBOHMZZJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)18-25-15-13-20(14-16-25)17-19-7-2-1-3-8-19/h1-5,7-9,12,20,22H,6,10-11,13-18H2.
What are the key properties of 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 347.50 g/mol, XLogP of 4.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-benzylpiperidin-1-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 11234470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).