(1,4-dibutylpiperidin-4-yl) acetate;hydrochloride

C15H30ClNO2 — CID 3048620

IUPAC(1,4-dibutylpiperidin-4-yl) acetate;hydrochloride
SMILESCCCCN1CCC(CCCC)(OC(C)=O)CC1.Cl
InChIInChI=1S/C15H29NO2.ClH/c1-4-6-8-15(18-14(3)17)9-12-16(13-10-15)11-7-5-2;/h4-13H2,1-3H3;1H
InChIKeyWUMKGWMLMOYKPD-UHFFFAOYSA-N
MW291.86 g/mol
LogP3.80
Rot. Bonds7

About (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride

(1,4-dibutylpiperidin-4-yl) acetate;hydrochloride (PubChem CID 3048620) has the molecular formula C15H30ClNO2 and a molecular weight of 291.86 g/mol. Its IUPAC name is (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(1,4-dibutylpiperidin-4-yl) acetate;hydrochloride
PubChem CID3048620
Molecular FormulaC15H30ClNO2
Molecular Weight291.86 g/mol
Exact Mass291.20
IUPAC Name(1,4-dibutylpiperidin-4-yl) acetate;hydrochloride
SMILESCCCCN1CCC(CCCC)(OC(C)=O)CC1.Cl
InChIInChI=1S/C15H29NO2.ClH/c1-4-6-8-15(18-14(3)17)9-12-16(13-10-15)11-7-5-2;/h4-13H2,1-3H3;1H
InChIKeyWUMKGWMLMOYKPD-UHFFFAOYSA-N
XLogP3.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.86
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride?
The IUPAC name of (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride (CID 3048620) is (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride.
What is the SMILES notation for (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride?
The canonical SMILES for (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride is CCCCN1CCC(CCCC)(OC(C)=O)CC1.Cl.
What is the InChIKey of (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride?
The InChIKey is WUMKGWMLMOYKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.ClH/c1-4-6-8-15(18-14(3)17)9-12-16(13-10-15)11-7-5-2;/h4-13H2,1-3H3;1H.
What are the key properties of (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride?
(1,4-dibutylpiperidin-4-yl) acetate;hydrochloride has a molecular weight of 291.86 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dibutylpiperidin-4-yl) acetate;hydrochloride is sourced from PubChem (CID 3048620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).