2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride

C24H26ClNO — CID 14280721

IUPAC2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25NO.ClH/c26-24(23-11-10-21-8-4-5-9-22(21)17-23)18-25-14-12-20(13-15-25)16-19-6-2-1-3-7-19;/h1-11,17,20H,12-16,18H2;1H
InChIKeyQAIYCEDWESWDID-UHFFFAOYSA-N
MW379.93 g/mol
LogP5.40
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride

2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride (PubChem CID 14280721) has the molecular formula C24H26ClNO and a molecular weight of 379.93 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride
PubChem CID14280721
Molecular FormulaC24H26ClNO
Molecular Weight379.93 g/mol
Exact Mass379.17
IUPAC Name2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride
SMILESCl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1
InChIInChI=1S/C24H25NO.ClH/c26-24(23-11-10-21-8-4-5-9-22(21)17-23)18-25-14-12-20(13-15-25)16-19-6-2-1-3-7-19;/h1-11,17,20H,12-16,18H2;1H
InChIKeyQAIYCEDWESWDID-UHFFFAOYSA-N
XLogP5.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.93
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride (CID 14280721) is 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride is Cl.O=C(CN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride?
The InChIKey is QAIYCEDWESWDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO.ClH/c26-24(23-11-10-21-8-4-5-9-22(21)17-23)18-25-14-12-20(13-15-25)16-19-6-2-1-3-7-19;/h1-11,17,20H,12-16,18H2;1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride?
2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-1-naphthalen-2-ylethanone;hydrochloride is sourced from PubChem (CID 14280721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).