piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

C13H25ClN2O — CID 119344916

IUPACpiperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)C2CCNCC2)C1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10(2)12-5-8-15(9-12)13(16)11-3-6-14-7-4-11;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyJRGXBHJMTVQIRC-UHFFFAOYSA-N
MW260.81 g/mol
LogP1.91
Rot. Bonds2

About piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride

piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119344916) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119344916
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Namepiperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)C2CCNCC2)C1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10(2)12-5-8-15(9-12)13(16)11-3-6-14-7-4-11;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyJRGXBHJMTVQIRC-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

piperidin-4-yl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103797757
(3-propan-2-ylpyrrolidin-1-yl)-pyrrolidin-3-ylmethanone
CID 115740808
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
(1-propan-2-ylpiperidin-4-yl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 168752402
(1-propan-2-ylpiperidin-4-yl)-[(3S)-3-propan-2-ylpyrrolidin-1-yl]methanone
CID 168752483
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-propan-2-ylcyclohexyl)methanone
CID 110023300
piperidin-4-yl-(2-propan-2-ylthiomorpholin-4-yl)methanone
CID 119342685
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
[3-(1-aminoethyl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 112630526
1-(piperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030374
cycloheptyl-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155764605

Frequently Asked Questions

What is the IUPAC name of piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 119344916) is piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is CC(C)C1CCN(C(=O)C2CCNCC2)C1.Cl.
What is the InChIKey of piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is JRGXBHJMTVQIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-10(2)12-5-8-15(9-12)13(16)11-3-6-14-7-4-11;/h10-12,14H,3-9H2,1-2H3;1H.
What are the key properties of piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride?
piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-4-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119344916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).