3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride

C13H25ClN2O — CID 119669978

IUPAC3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCCC1)C1CCNCC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-11(12-4-6-14-7-5-12)10-13(16)15-8-2-3-9-15;/h11-12,14H,2-10H2,1H3;1H
InChIKeyALNQYBMTCACUKK-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.06
Rot. Bonds3

About 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride

3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride (PubChem CID 119669978) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
PubChem CID119669978
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
SMILESCC(CC(=O)N1CCCC1)C1CCNCC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-11(12-4-6-14-7-5-12)10-13(16)15-8-2-3-9-15;/h11-12,14H,2-10H2,1H3;1H
InChIKeyALNQYBMTCACUKK-UHFFFAOYSA-N
XLogP2.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
CID 119876029
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
1-[3-(methoxymethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119781766
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713
1-(4-phenylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119703057
1-(4-benzoylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119699761
1-(2,3-dimethylpiperidin-1-yl)-3-piperidin-4-ylbutan-1-one;hydrochloride
CID 119764071

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride (CID 119669978) is 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride is CC(CC(=O)N1CCCC1)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
The InChIKey is ALNQYBMTCACUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-11(12-4-6-14-7-5-12)10-13(16)15-8-2-3-9-15;/h11-12,14H,2-10H2,1H3;1H.
What are the key properties of 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride?
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119669978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).