3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride

C22H28ClNO2 — CID 24843854

IUPAC3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)CCN2CCC(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-25-21-9-7-20(8-10-21)22(24)13-16-23-14-11-19(12-15-23)17-18-5-3-2-4-6-18;/h2-10,19H,11-17H2,1H3;1H
InChIKeyBXQBLOWFRCUADP-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.64
Rot. Bonds7

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

3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride (PubChem CID 24843854) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride
PubChem CID24843854
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(C(=O)CCN2CCC(Cc3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-25-21-9-7-20(8-10-21)22(24)13-16-23-14-11-19(12-15-23)17-18-5-3-2-4-6-18;/h2-10,19H,11-17H2,1H3;1H
InChIKeyBXQBLOWFRCUADP-UHFFFAOYSA-N
XLogP4.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride (CID 24843854) is 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride is COc1ccc(C(=O)CCN2CCC(Cc3ccccc3)CC2)cc1.Cl.
What is the InChIKey of 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is BXQBLOWFRCUADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.ClH/c1-25-21-9-7-20(8-10-21)22(24)13-16-23-14-11-19(12-15-23)17-18-5-3-2-4-6-18;/h2-10,19H,11-17H2,1H3;1H.
What are the key properties of 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride?
3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 373.92 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidin-1-yl)-1-(4-methoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 24843854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).