[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate

C15H20ClNO2 — CID 22649568

IUPAC[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
SMILESCC(=O)OCC1CN(C)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3
InChIKeyHJKKWIJTYBPLCJ-UHFFFAOYSA-N
MW281.78 g/mol
LogP2.94
Rot. Bonds3

About [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate

[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate (PubChem CID 22649568) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
PubChem CID22649568
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
SMILESCC(=O)OCC1CN(C)CCC1c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3
InChIKeyHJKKWIJTYBPLCJ-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]-N,N-dimethylacetamide
CID 11471946
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid
CID 10824789
5-[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]oxypentyl (3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10076847
3-[(4-chlorophenoxy)methyl]-1-methyl-4-phenylpiperidine
CID 23196644
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]-N-methylacetamide
CID 11301852
2-[[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]ethanol
CID 11594586
[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl] methyl carbonate
CID 68807567
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-hydroxyacetamide
CID 11382361
2-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfinyl]-N-methylacetamide
CID 11439307
[(2S,3S,5R)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl acetate
CID 71093939
ethyl 4-(4-fluorophenyl)-1-methylpiperidine-3-carboxylate
CID 10978362
2,3-dihydroxybutanedioic acid;(3S,4R)-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]-1-methylpiperidine
CID 70401571

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate?
The IUPAC name of [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate (CID 22649568) is [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate.
What is the SMILES notation for [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate?
The canonical SMILES for [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate is CC(=O)OCC1CN(C)CCC1c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate?
The InChIKey is HJKKWIJTYBPLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-11(18)19-10-13-9-17(2)8-7-15(13)12-3-5-14(16)6-4-12/h3-6,13,15H,7-10H2,1-2H3.
What are the key properties of [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate?
[4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate has a molecular weight of 281.78 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate is sourced from PubChem (CID 22649568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).