(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride

C18H28ClNO2 — CID 24843033

IUPAC(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCCC1CC(OC(=O)CC)(c2ccccc2)CCN1C.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-4-9-16-14-18(12-13-19(16)3,21-17(20)5-2)15-10-7-6-8-11-15;/h6-8,10-11,16H,4-5,9,12-14H2,1-3H3;1H
InChIKeyOSEFBOFBTXKWFR-UHFFFAOYSA-N
MW325.88 g/mol
LogP4.15
Rot. Bonds5

About (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride

(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride (PubChem CID 24843033) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
PubChem CID24843033
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCCC1CC(OC(=O)CC)(c2ccccc2)CCN1C.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-4-9-16-14-18(12-13-19(16)3,21-17(20)5-2)15-10-7-6-8-11-15;/h6-8,10-11,16H,4-5,9,12-14H2,1-3H3;1H
InChIKeyOSEFBOFBTXKWFR-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1,2-dimethyl-4-phenylpiperidin-4-yl) propanoate
CID 4741130
(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
CID 21125426
[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 76969825
[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate
CID 3075799
[1-[(3E)-3-hydroxyimino-3-phenylpropyl]-4-phenylpiperidin-4-yl] propanoate
CID 18656723
[1-(4-phenoxybut-2-ynyl)-4-phenylpiperidin-4-yl] propanoate;hydrochloride
CID 3075794
2,3-dihydroxybutanedioic acid;(1,2-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
CID 24845621
[1-[2-[2-(methylcarbamoyl)anilino]ethyl]-4-phenylpiperidin-4-yl] propanoate
CID 3050172
(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
CID 21120815
(1,3-dimethyl-4-phenylazepan-4-yl) propanoate;[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
CID 70147210
(1-butyl-4-pyridin-3-ylpiperidin-4-yl) propanoate
CID 3048607
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride?
The IUPAC name of (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride (CID 24843033) is (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride?
The canonical SMILES for (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride is CCCC1CC(OC(=O)CC)(c2ccccc2)CCN1C.Cl.
What is the InChIKey of (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride?
The InChIKey is OSEFBOFBTXKWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-4-9-16-14-18(12-13-19(16)3,21-17(20)5-2)15-10-7-6-8-11-15;/h6-8,10-11,16H,4-5,9,12-14H2,1-3H3;1H.
What are the key properties of (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride?
(1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenyl-2-propylpiperidin-4-yl) propanoate;hydrochloride is sourced from PubChem (CID 24843033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).