(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C13H25ClN2O — CID 119336352

IUPAC(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10(2)11-5-8-15(9-6-11)13(16)12-4-3-7-14-12;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyAOCZEBHMJGGUJB-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.05
Rot. Bonds2

About (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119336352) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119336352
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC Name(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC(C)C1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-10(2)11-5-8-15(9-6-11)13(16)12-4-3-7-14-12;/h10-12,14H,3-9H2,1-2H3;1H
InChIKeyAOCZEBHMJGGUJB-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119787837
piperidin-2-yl-(4-propan-2-ylazepan-1-yl)methanone;hydrochloride
CID 119326089
[(2R)-piperidin-2-yl]-(4-propan-2-ylazepan-1-yl)methanone
CID 113266870
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
[4-(1-hydroxyethyl)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119769016
2-methyl-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119269718
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
pyrrolidin-2-yl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone;hydrochloride
CID 91660155
pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 550904
2-methyl-1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119297843
(4-ethylpiperazin-1-yl)-pyrrolidin-2-ylmethanone;dihydrochloride
CID 119032238
(4-tert-butylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119311371

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 119336352) is (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is CC(C)C1CCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is AOCZEBHMJGGUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-10(2)11-5-8-15(9-6-11)13(16)12-4-3-7-14-12;/h10-12,14H,3-9H2,1-2H3;1H.
What are the key properties of (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119336352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).