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

C23H28ClNO — CID 10109683

IUPAC2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CC1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27NO.ClH/c25-23-21(16-20-8-4-5-9-22(20)23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19;/h1-9,18,21H,10-17H2;1H
InChIKeyCPFYOLBMPXJCKO-UHFFFAOYSA-N
MW369.94 g/mol
LogP5.16
Rot. Bonds5

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

2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 10109683) has the molecular formula C23H28ClNO and a molecular weight of 369.94 g/mol. Its IUPAC name is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
PubChem CID10109683
Molecular FormulaC23H28ClNO
Molecular Weight369.94 g/mol
Exact Mass369.19
IUPAC Name2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CC1CCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H27NO.ClH/c25-23-21(16-20-8-4-5-9-22(20)23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19;/h1-9,18,21H,10-17H2;1H
InChIKeyCPFYOLBMPXJCKO-UHFFFAOYSA-N
XLogP5.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.94
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride (CID 10109683) is 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride is Cl.O=C1c2ccccc2CC1CCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is CPFYOLBMPXJCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO.ClH/c25-23-21(16-20-8-4-5-9-22(20)23)11-10-18-12-14-24(15-13-18)17-19-6-2-1-3-7-19;/h1-9,18,21H,10-17H2;1H.
What are the key properties of 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride?
2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzylpiperidin-4-yl)ethyl]-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 10109683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).