3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine

C16H24N2 — CID 115373475

IUPAC3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine
SMILESCC1CNCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C16H24N2/c1-13-9-16(11-17-10-13)18-8-7-15(12-18)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3
InChIKeyCPRGIQGGYVVMRL-UHFFFAOYSA-N
MW244.38 g/mol
LogP2.47
Rot. Bonds2

About 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine

3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine (PubChem CID 115373475) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine.

Molecular Properties

Compound Name3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine
PubChem CID115373475
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine
SMILESCC1CNCC(N2CCC(c3ccccc3)C2)C1
InChIInChI=1S/C16H24N2/c1-13-9-16(11-17-10-13)18-8-7-15(12-18)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3
InChIKeyCPRGIQGGYVVMRL-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylpyrrolidin-3-yl)-3-phenylpyrrolidine
CID 81458806
(3S)-1-cyclopentyl-3-phenylpyrrolidine
CID 97327940
(8R,9aS)-8-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine
CID 126622795
3-methoxy-4-methyl-1-(5-methylpiperidin-3-yl)piperidine
CID 102965792
3-(3,4-dimethylpyrrolidin-1-yl)-5-methylpiperidine
CID 115373534
3-methyl-5-pyrrolidin-1-ylpiperidine
CID 79905165
N-ethyl-3-(3-phenylpyrrolidin-1-yl)cyclohexan-1-amine
CID 79617835
4-phenyl-1-[(3S,4R)-4-phenylpyrrolidin-3-yl]piperidine
CID 102020253
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
4-(5-methylpiperidin-3-yl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 113296932
3-methyl-1-(4-phenylcyclohexyl)azetidine
CID 90791432

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine?
The IUPAC name of 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine (CID 115373475) is 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine.
What is the SMILES notation for 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine?
The canonical SMILES for 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine is CC1CNCC(N2CCC(c3ccccc3)C2)C1.
What is the InChIKey of 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine?
The InChIKey is CPRGIQGGYVVMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-9-16(11-17-10-13)18-8-7-15(12-18)14-5-3-2-4-6-14/h2-6,13,15-17H,7-12H2,1H3.
What are the key properties of 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine?
3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine has a molecular weight of 244.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-phenylpyrrolidin-1-yl)piperidine is sourced from PubChem (CID 115373475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).