2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride

C23H28ClNO2 — CID 14553351

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride
SMILESCOc1ccc2c(c1)CC(CC1CCN(Cc3ccccc3)CC1)C2=O.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18;/h2-8,15,17,20H,9-14,16H2,1H3;1H
InChIKeyPPPAEUGCFMEERQ-UHFFFAOYSA-N
MW385.94 g/mol
LogP4.77
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride

2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 14553351) has the molecular formula C23H28ClNO2 and a molecular weight of 385.94 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride
PubChem CID14553351
Molecular FormulaC23H28ClNO2
Molecular Weight385.94 g/mol
Exact Mass385.18
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride
SMILESCOc1ccc2c(c1)CC(CC1CCN(Cc3ccccc3)CC1)C2=O.Cl
InChIInChI=1S/C23H27NO2.ClH/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18;/h2-8,15,17,20H,9-14,16H2,1H3;1H
InChIKeyPPPAEUGCFMEERQ-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride (CID 14553351) is 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride is COc1ccc2c(c1)CC(CC1CCN(Cc3ccccc3)CC1)C2=O.Cl.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is PPPAEUGCFMEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO2.ClH/c1-26-21-7-8-22-19(15-21)14-20(23(22)25)13-17-9-11-24(12-10-17)16-18-5-3-2-4-6-18;/h2-8,15,17,20H,9-14,16H2,1H3;1H.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride?
2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 14553351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).