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

C16H24ClNO2 — CID 21125426

IUPAC(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
SMILESCCCC(=O)OC1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-3-7-15(18)19-16(10-12-17(2)13-11-16)14-8-5-4-6-9-14;/h4-6,8-9H,3,7,10-13H2,1-2H3;1H
InChIKeyFBXSPRXKRIPMCJ-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.37
Rot. Bonds4

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

(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride (PubChem CID 21125426) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride.

Molecular Properties

Compound Name(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
PubChem CID21125426
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride
SMILESCCCC(=O)OC1(c2ccccc2)CCN(C)CC1.Cl
InChIInChI=1S/C16H23NO2.ClH/c1-3-7-15(18)19-16(10-12-17(2)13-11-16)14-8-5-4-6-9-14;/h4-6,8-9H,3,7,10-13H2,1-2H3;1H
InChIKeyFBXSPRXKRIPMCJ-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.37
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) butanoate;hydrochloride?
The IUPAC name of (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride (CID 21125426) is (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride.
What is the SMILES notation for (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride?
The canonical SMILES for (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride is CCCC(=O)OC1(c2ccccc2)CCN(C)CC1.Cl.
What is the InChIKey of (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride?
The InChIKey is FBXSPRXKRIPMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2.ClH/c1-3-7-15(18)19-16(10-12-17(2)13-11-16)14-8-5-4-6-9-14;/h4-6,8-9H,3,7,10-13H2,1-2H3;1H.
What are the key properties of (1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride?
(1-methyl-4-phenylpiperidin-4-yl) butanoate;hydrochloride has a molecular weight of 297.83 g/mol, XLogP of 3.37, 4 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) butanoate;hydrochloride is sourced from PubChem (CID 21125426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).