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

C24H29NO — CID 10617670

IUPAC6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)17-19-13-15-25(16-14-19)18-20-7-2-1-3-8-20/h1-5,7-9,12,19,22H,6,10-11,13-18H2
InChIKeySKJAMKPPTBWOCF-UHFFFAOYSA-N
MW347.50 g/mol
LogP5.12
Rot. Bonds4

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

6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (PubChem CID 10617670) has the molecular formula C24H29NO and a molecular weight of 347.50 g/mol. Its IUPAC name is 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.

Molecular Properties

Compound Name6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
PubChem CID10617670
Molecular FormulaC24H29NO
Molecular Weight347.50 g/mol
Exact Mass347.22
IUPAC Name6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
SMILESO=C1c2ccccc2CCCC1CC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)17-19-13-15-25(16-14-19)18-20-7-2-1-3-8-20/h1-5,7-9,12,19,22H,6,10-11,13-18H2
InChIKeySKJAMKPPTBWOCF-UHFFFAOYSA-N
XLogP5.12
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The IUPAC name of 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one (CID 10617670) is 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one.
What is the SMILES notation for 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The canonical SMILES for 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is O=C1c2ccccc2CCCC1CC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
The InChIKey is SKJAMKPPTBWOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO/c26-24-22(11-6-10-21-9-4-5-12-23(21)24)17-19-13-15-25(16-14-19)18-20-7-2-1-3-8-20/h1-5,7-9,12,19,22H,6,10-11,13-18H2.
What are the key properties of 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one?
6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one has a molecular weight of 347.50 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-benzylpiperidin-4-yl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-one is sourced from PubChem (CID 10617670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).