[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride

C20H24ClNO2 — CID 18919781

IUPAC[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
SMILESCc1ccc(CN2CCC(OC(=O)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-16-7-9-17(10-8-16)15-21-13-11-19(12-14-21)23-20(22)18-5-3-2-4-6-18;/h2-10,19H,11-15H2,1H3;1H
InChIKeyHFXNDSFOHLXLSP-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.24
Rot. Bonds4

About [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride

[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride (PubChem CID 18919781) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride.

Molecular Properties

Compound Name[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
PubChem CID18919781
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
SMILESCc1ccc(CN2CCC(OC(=O)c3ccccc3)CC2)cc1.Cl
InChIInChI=1S/C20H23NO2.ClH/c1-16-7-9-17(10-8-16)15-21-13-11-19(12-14-21)23-20(22)18-5-3-2-4-6-18;/h2-10,19H,11-15H2,1H3;1H
InChIKeyHFXNDSFOHLXLSP-UHFFFAOYSA-N
XLogP4.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919932
(1-benzylpiperidin-4-yl) 3-iodobenzoate;hydrochloride
CID 18919861
(1-benzylpiperidin-4-yl) 2-methylbenzoate
CID 18919792
(1-benzyl-3-chloropiperidin-4-yl) 4-methylbenzoate
CID 67644736
[1-[(4-bromophenyl)methyl]piperidin-4-yl] 4-chlorobenzoate;hydrochloride
CID 18919904
[1-[(4-chlorophenyl)methyl]piperidin-4-yl] 4-fluorobenzoate
CID 18919757
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
[1-[(2-nitrophenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919824
[1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-4-yl] benzoate;hydrochloride
CID 3077580
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
(1-benzylpiperidin-4-yl) prop-2-enyl carbonate
CID 11242829

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride?
The IUPAC name of [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride (CID 18919781) is [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride.
What is the SMILES notation for [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride?
The canonical SMILES for [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride is Cc1ccc(CN2CCC(OC(=O)c3ccccc3)CC2)cc1.Cl.
What is the InChIKey of [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride?
The InChIKey is HFXNDSFOHLXLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2.ClH/c1-16-7-9-17(10-8-16)15-21-13-11-19(12-14-21)23-20(22)18-5-3-2-4-6-18;/h2-10,19H,11-15H2,1H3;1H.
What are the key properties of [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride?
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride has a molecular weight of 345.87 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride is sourced from PubChem (CID 18919781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).