phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride

C19H22ClNO2 — CID 18919929

IUPACphenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO2.ClH/c21-19(22-18-9-5-2-6-10-18)17-11-13-20(14-12-17)15-16-7-3-1-4-8-16;/h1-10,17H,11-15H2;1H
InChIKeyFBSWASINRHVETB-UHFFFAOYSA-N
MW331.84 g/mol
LogP3.93
Rot. Bonds4

About phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride

phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride (PubChem CID 18919929) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namephenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
PubChem CID18919929
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Namephenyl 1-benzylpiperidine-4-carboxylate;hydrochloride
SMILESCl.O=C(Oc1ccccc1)C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21NO2.ClH/c21-19(22-18-9-5-2-6-10-18)17-11-13-20(14-12-17)15-16-7-3-1-4-8-16;/h1-10,17H,11-15H2;1H
InChIKeyFBSWASINRHVETB-UHFFFAOYSA-N
XLogP3.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.84
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

phenyl 1-(2-phenylethyl)piperidine-4-carboxylate
CID 102339946
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
1-(1-benzylpiperidin-4-yl)ethanone
CID 910923
1-[(4-phenoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3912866
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
fluoro 1-benzylpyrrolidine-3-carboxylate
CID 143050363
1-azabicyclo[2.2.2]octane;phenyl cyclopropanecarboxylate
CID 174407037
1-(1-benzylpiperidin-4-yl)butane-1,3-dione
CID 82665728
ethyl 1-[(4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate;oxalic acid
CID 23724214
1-[(3S)-1-benzylpyrrolidin-3-yl]-2-chloroethanone
CID 164769335

Frequently Asked Questions

What is the IUPAC name of phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride (CID 18919929) is phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride is Cl.O=C(Oc1ccccc1)C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is FBSWASINRHVETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2.ClH/c21-19(22-18-9-5-2-6-10-18)17-11-13-20(14-12-17)15-16-7-3-1-4-8-16;/h1-10,17H,11-15H2;1H.
What are the key properties of phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride?
phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 331.84 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 1-benzylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 18919929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).