(1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride

C13H26ClNO2 — CID 3048585

IUPAC(1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCCCN1CCC(C)(OC(=O)CC)CC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-4-6-9-14-10-7-13(3,8-11-14)16-12(15)5-2;/h4-11H2,1-3H3;1H
InChIKeyLCWQBSJESOQELG-UHFFFAOYSA-N
MW263.81 g/mol
LogP3.02
Rot. Bonds5

About (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride

(1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride (PubChem CID 3048585) has the molecular formula C13H26ClNO2 and a molecular weight of 263.81 g/mol. Its IUPAC name is (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride.

Molecular Properties

Compound Name(1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride
PubChem CID3048585
Molecular FormulaC13H26ClNO2
Molecular Weight263.81 g/mol
Exact Mass263.17
IUPAC Name(1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride
SMILESCCCCN1CCC(C)(OC(=O)CC)CC1.Cl
InChIInChI=1S/C13H25NO2.ClH/c1-4-6-9-14-10-7-13(3,8-11-14)16-12(15)5-2;/h4-11H2,1-3H3;1H
InChIKeyLCWQBSJESOQELG-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride?
The IUPAC name of (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride (CID 3048585) is (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride.
What is the SMILES notation for (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride?
The canonical SMILES for (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride is CCCCN1CCC(C)(OC(=O)CC)CC1.Cl.
What is the InChIKey of (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride?
The InChIKey is LCWQBSJESOQELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2.ClH/c1-4-6-9-14-10-7-13(3,8-11-14)16-12(15)5-2;/h4-11H2,1-3H3;1H.
What are the key properties of (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride?
(1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride has a molecular weight of 263.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-4-methylpiperidin-4-yl) propanoate;hydrochloride is sourced from PubChem (CID 3048585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).