2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride

C20H24ClNO2 — CID 118798723

IUPAC2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2.ClH/c22-20(23)19(18-9-5-2-6-10-18)21-13-11-17(12-14-21)15-16-7-3-1-4-8-16;/h1-10,17,19H,11-15H2,(H,22,23);1H
InChIKeyGTENKENNDKBUFO-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride

2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride (PubChem CID 118798723) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
PubChem CID118798723
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride
SMILESCl.O=C(O)C(c1ccccc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H23NO2.ClH/c22-20(23)19(18-9-5-2-6-10-18)21-13-11-17(12-14-21)15-16-7-3-1-4-8-16;/h1-10,17,19H,11-15H2,(H,22,23);1H
InChIKeyGTENKENNDKBUFO-UHFFFAOYSA-N
XLogP4.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2S)-2-(4-benzylpiperidin-1-yl)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 94778934
2-[4-[(4-ethyl-1,3-thiazol-2-yl)methyl]piperidin-1-yl]-2-phenylacetic acid
CID 136551428
[(4-benzylpiperidin-1-yl)-phosphonomethyl]phosphonic acid
CID 14966653
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253
2-(3-fluoropyrrolidin-1-yl)-2-phenylacetic acid
CID 68764013
2-(4-benzylpiperidin-1-yl)-2-isocyanoacetamide
CID 123659558
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
(2S)-2-(4-benzylpiperidin-1-yl)-N-ethylpropanamide
CID 93328769
2-(4-benzylpiperidin-1-yl)-N-[2-(methylamino)ethyl]propanamide;dihydrochloride
CID 119502046

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride (CID 118798723) is 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride is Cl.O=C(O)C(c1ccccc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride?
The InChIKey is GTENKENNDKBUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c22-20(23)19(18-9-5-2-6-10-18)21-13-11-17(12-14-21)15-16-7-3-1-4-8-16;/h1-10,17,19H,11-15H2,(H,22,23);1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride?
2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-2-phenylacetic acid;hydrochloride is sourced from PubChem (CID 118798723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).