2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride

C22H28ClNO2 — CID 21153796

IUPAC2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride
SMILESCC(c1ccccc1)C1CCCCN1CCOC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-18(19-10-4-2-5-11-19)21-14-8-9-15-23(21)16-17-25-22(24)20-12-6-3-7-13-20;/h2-7,10-13,18,21H,8-9,14-17H2,1H3;1H
InChIKeyKCCYIPPEMSWQSX-UHFFFAOYSA-N
MW373.92 g/mol
LogP4.92
Rot. Bonds6

About 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride

2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride (PubChem CID 21153796) has the molecular formula C22H28ClNO2 and a molecular weight of 373.92 g/mol. Its IUPAC name is 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride.

Molecular Properties

Compound Name2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride
PubChem CID21153796
Molecular FormulaC22H28ClNO2
Molecular Weight373.92 g/mol
Exact Mass373.18
IUPAC Name2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride
SMILESCC(c1ccccc1)C1CCCCN1CCOC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H27NO2.ClH/c1-18(19-10-4-2-5-11-19)21-14-8-9-15-23(21)16-17-25-22(24)20-12-6-3-7-13-20;/h2-7,10-13,18,21H,8-9,14-17H2,1H3;1H
InChIKeyKCCYIPPEMSWQSX-UHFFFAOYSA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.92
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-propan-2-ylpiperidin-1-yl)propyl benzoate;hydrochloride
CID 138401152
2-(1-propylpiperidin-2-yl)ethyl benzoate
CID 3060654
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
2-(5-ethyl-2-methylpiperidin-1-yl)ethyl benzoate
CID 587828
3-[2-(1-aminoethyl)piperidin-1-yl]-N-phenylpropanamide;hydrochloride
CID 119911160
3-(2-methylpiperidin-1-yl)propyl 2-benzoylbenzoate;hydrochloride
CID 138401134
[(2S)-1-[(2R)-1-propylpiperidin-2-yl]propan-2-yl] benzoate
CID 98100006
methyl 4-[(2R)-4-oxo-4-[(2R)-1-(2-phenoxyethyl)piperidin-2-yl]butan-2-yl]benzoate
CID 147911505
methyl 4-[(1R)-1-[[(2S)-1-(2-phenoxyethyl)piperidine-2-carbonyl]amino]ethyl]benzoate
CID 122220426
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
CID 130427918
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride?
The IUPAC name of 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride (CID 21153796) is 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride.
What is the SMILES notation for 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride?
The canonical SMILES for 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride is CC(c1ccccc1)C1CCCCN1CCOC(=O)c1ccccc1.Cl.
What is the InChIKey of 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride?
The InChIKey is KCCYIPPEMSWQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2.ClH/c1-18(19-10-4-2-5-11-19)21-14-8-9-15-23(21)16-17-25-22(24)20-12-6-3-7-13-20;/h2-7,10-13,18,21H,8-9,14-17H2,1H3;1H.
What are the key properties of 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride?
2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride has a molecular weight of 373.92 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-phenylethyl)piperidin-1-yl]ethyl benzoate;hydrochloride is sourced from PubChem (CID 21153796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).