2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride

C14H27ClN2O — CID 119999275

IUPAC2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-11(2)14(17)16-9-6-12(7-10-16)13-5-4-8-15-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyAXECSWFUEBKRFY-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride

2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride (PubChem CID 119999275) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
PubChem CID119999275
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride
SMILESCCC(C)C(=O)N1CCC(C2CCCN2)CC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-3-11(2)14(17)16-9-6-12(7-10-16)13-5-4-8-15-13;/h11-13,15H,3-10H2,1-2H3;1H
InChIKeyAXECSWFUEBKRFY-UHFFFAOYSA-N
XLogP2.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 63259596
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 112703555
2-ethoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999570
2-methyl-1-(2-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one
CID 63256243
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)ethanone;hydrochloride
CID 119999699
(1-ethylcyclopentyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999346
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 63259105
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
1-(aziridin-1-yl)-2-methylbutan-1-one
CID 131176339
(E)-1-(4-pyrrolidin-2-ylpiperidin-1-yl)but-2-en-1-one
CID 63259333
(4-ethylphenyl)-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 119999698
cyclopentyl-(4-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 63259153

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride?
The IUPAC name of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride (CID 119999275) is 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride.
What is the SMILES notation for 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride?
The canonical SMILES for 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride is CCC(C)C(=O)N1CCC(C2CCCN2)CC1.Cl.
What is the InChIKey of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride?
The InChIKey is AXECSWFUEBKRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-3-11(2)14(17)16-9-6-12(7-10-16)13-5-4-8-15-13;/h11-13,15H,3-10H2,1-2H3;1H.
What are the key properties of 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride?
2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)butan-1-one;hydrochloride is sourced from PubChem (CID 119999275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).