(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

C17H25ClN2O — CID 119336209

IUPAC(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC1CN(C(=O)C2CCCN2)CCC1c1ccccc1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-13-12-19(17(20)16-8-5-10-18-16)11-9-15(13)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3;1H
InChIKeyDHFKMFGMRZYKOL-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.81
Rot. Bonds2

About (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride

(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (PubChem CID 119336209) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
PubChem CID119336209
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
SMILESCC1CN(C(=O)C2CCCN2)CCC1c1ccccc1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-13-12-19(17(20)16-8-5-10-18-16)11-9-15(13)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3;1H
InChIKeyDHFKMFGMRZYKOL-UHFFFAOYSA-N
XLogP2.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424
(3-methylpyrrolidin-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795857
(2-methyl-6-phenylmorpholin-4-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119304765
[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 129380988
(4-hydroxy-3-methylpiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104940916
(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
CID 119805710
1,3-dihydroisoindol-2-yl(pyrrolidin-2-yl)methanone;hydrochloride
CID 119320268
(3-methylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 56831888
(2-phenylmorpholin-4-yl)-piperidin-2-ylmethanone
CID 60962617
(3-benzylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride
CID 119320187
(3-benzylpyrrolidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 119290280
[3-(4-methoxyphenyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119313382

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The IUPAC name of (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride (CID 119336209) is (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The canonical SMILES for (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is CC1CN(C(=O)C2CCCN2)CCC1c1ccccc1.Cl.
What is the InChIKey of (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
The InChIKey is DHFKMFGMRZYKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-13-12-19(17(20)16-8-5-10-18-16)11-9-15(13)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,18H,5,8-12H2,1H3;1H.
What are the key properties of (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride?
(3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-phenylpiperidin-1-yl)-pyrrolidin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 119336209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).