(1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride

C14H19Cl2NO2 — CID 2948685

IUPAC(1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride
SMILESCN1CCC(OC(=O)Cc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C14H18ClNO2.ClH/c1-16-8-6-13(7-9-16)18-14(17)10-11-2-4-12(15)5-3-11;/h2-5,13H,6-10H2,1H3;1H
InChIKeyHTVLCWTYCCFGFD-UHFFFAOYSA-N
MW304.22 g/mol
LogP2.94
Rot. Bonds3

About (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride

(1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride (PubChem CID 2948685) has the molecular formula C14H19Cl2NO2 and a molecular weight of 304.22 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride
PubChem CID2948685
Molecular FormulaC14H19Cl2NO2
Molecular Weight304.22 g/mol
Exact Mass303.08
IUPAC Name(1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride
SMILESCN1CCC(OC(=O)Cc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C14H18ClNO2.ClH/c1-16-8-6-13(7-9-16)18-14(17)10-11-2-4-12(15)5-3-11;/h2-5,13H,6-10H2,1H3;1H
InChIKeyHTVLCWTYCCFGFD-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 ≤ 500304.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pentapiperide
CID 110942
1-Morpholinopropan-2-yl 2-(4-chlorophenyl)acetate hydrochloride
CID 2928075
(3S,4S)-Methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10355644
[(3S,4S)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methyl acetate
CID 10493109
Methyl (3R,4R)-4-(4-chlorophenyl)-1-methyl-3-piperidinecarboxylate
CID 12972671
3-(4-Chloro-phenyl)-6-methyl-6-aza-bicyclo[3.2.2]nonane-4-carboxylic acid isopropyl ester
CID 44372825
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
(4-Chloro-phenyl)-acetic acid 1-methyl-2-pyrrolidin-1-yl-ethyl ester
CID 23724356
1-(Piperidin-1-YL)propan-2-YL 4-chlorobenzoate hydrochloride
CID 2911435
Methyl 4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylate
CID 10015831
(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carboxylic acid methyl ester
CID 10333222
ethyl 1-N-methyl-4-(3,4-dichlorophenyl)piperidine-4-carboxylate
CID 10403452

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride?
The IUPAC name of (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride (CID 2948685) is (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride is CN1CCC(OC(=O)Cc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride?
The InChIKey is HTVLCWTYCCFGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2.ClH/c1-16-8-6-13(7-9-16)18-14(17)10-11-2-4-12(15)5-3-11;/h2-5,13H,6-10H2,1H3;1H.
What are the key properties of (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride?
(1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride has a molecular weight of 304.22 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 (1-methylpiperidin-4-yl) 2-(4-chlorophenyl)acetate;hydrochloride is sourced from PubChem (CID 2948685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).