(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride

C15H22ClNO2 — CID 3030770

IUPAC(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
InChIKeyWQANBUZBKNCRKH-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.98
Rot. Bonds3

About (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride

(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride (PubChem CID 3030770) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
PubChem CID3030770
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H
InChIKeyWQANBUZBKNCRKH-UHFFFAOYSA-N
XLogP2.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The IUPAC name of (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride (CID 3030770) is (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The canonical SMILES for (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride is CCC(=O)OC1(c2ccccc2)CCN(C)CC1.Cl.
What is the InChIKey of (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
The InChIKey is WQANBUZBKNCRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-3-14(17)18-15(9-11-16(2)12-10-15)13-7-5-4-6-8-13;/h4-8H,3,9-12H2,1-2H3;1H.
What are the key properties of (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride?
(1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpiperidin-4-yl) propanoate;hydrochloride is sourced from PubChem (CID 3030770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).