3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride

C21H26ClNO — CID 45259274

IUPAC3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride
SMILESCl.O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO.ClH/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19;/h1-10,18H,11-17H2;1H
InChIKeyLMSCTEUJYAUTGZ-UHFFFAOYSA-N
MW343.90 g/mol
LogP4.98
Rot. Bonds6

About 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride

3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride (PubChem CID 45259274) has the molecular formula C21H26ClNO and a molecular weight of 343.90 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride
PubChem CID45259274
Molecular FormulaC21H26ClNO
Molecular Weight343.90 g/mol
Exact Mass343.17
IUPAC Name3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride
SMILESCl.O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C21H25NO.ClH/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19;/h1-10,18H,11-17H2;1H
InChIKeyLMSCTEUJYAUTGZ-UHFFFAOYSA-N
XLogP4.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride (CID 45259274) is 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride is Cl.O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride?
The InChIKey is LMSCTEUJYAUTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO.ClH/c23-21(20-9-5-2-6-10-20)12-11-18-13-15-22(16-14-18)17-19-7-3-1-4-8-19;/h1-10,18H,11-17H2;1H.
What are the key properties of 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride?
3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-4-yl)-1-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 45259274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).