[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride

C16H23ClN2O3 — CID 160711504

IUPAC[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride
SMILESCC(=O)Nc1ccc(C(OC(C)=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-11(19)18-14-8-6-13(7-9-14)16(21-12(2)20)15-5-3-4-10-17-15;/h6-9,15-17H,3-5,10H2,1-2H3,(H,18,19);1H
InChIKeyRQTVBMDYPLHLIN-UHFFFAOYSA-N
MW326.82 g/mol
LogP2.81
Rot. Bonds4

About [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride

[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride (PubChem CID 160711504) has the molecular formula C16H23ClN2O3 and a molecular weight of 326.82 g/mol. Its IUPAC name is [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride.

Molecular Properties

Compound Name[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride
PubChem CID160711504
Molecular FormulaC16H23ClN2O3
Molecular Weight326.82 g/mol
Exact Mass326.14
IUPAC Name[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride
SMILESCC(=O)Nc1ccc(C(OC(C)=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C16H22N2O3.ClH/c1-11(19)18-14-8-6-13(7-9-14)16(21-12(2)20)15-5-3-4-10-17-15;/h6-9,15-17H,3-5,10H2,1-2H3,(H,18,19);1H
InChIKeyRQTVBMDYPLHLIN-UHFFFAOYSA-N
XLogP2.81
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.82
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(S)-phenyl-[(2S)-piperidin-2-yl]methyl] acetate;hydrochloride
CID 71573118
[4-[acetyloxy(piperidin-2-yl)methyl]phenyl] acetate
CID 154219791
N-[4-[(2S)-piperidin-2-yl]phenyl]acetamide;hydrochloride
CID 154574804
[(3,4-dichlorophenyl)-[(2R)-piperidin-2-yl]methyl] N-(1H-indazol-5-yl)carbamate
CID 68672905
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
[cyclohexyl(piperidin-2-yl)methyl] acetate;ethane
CID 155732233
N-(4-acetamidophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119669050
methyl (2R)-2-(4-methoxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 10587632
N-[4-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]phenyl]acetamide
CID 171262963
[(4-bromophenyl)-cyclohexylmethyl] acetate
CID 22503006
methyl (2R)-2-(4-tert-butylphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52943877
methyl 2-phenyl-2-piperidin-2-ylacetate
CID 4158

Frequently Asked Questions

What is the IUPAC name of [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride?
The IUPAC name of [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride (CID 160711504) is [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride.
What is the SMILES notation for [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride?
The canonical SMILES for [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride is CC(=O)Nc1ccc(C(OC(C)=O)C2CCCCN2)cc1.Cl.
What is the InChIKey of [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride?
The InChIKey is RQTVBMDYPLHLIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3.ClH/c1-11(19)18-14-8-6-13(7-9-14)16(21-12(2)20)15-5-3-4-10-17-15;/h6-9,15-17H,3-5,10H2,1-2H3,(H,18,19);1H.
What are the key properties of [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride?
[(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride has a molecular weight of 326.82 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-acetamidophenyl)-piperidin-2-ylmethyl] acetate;hydrochloride is sourced from PubChem (CID 160711504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).