1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine

C16H24N2 — CID 117363390

IUPAC1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine
SMILESCc1ccc(N2CCCCC2)c(C2CCCN2)c1
InChIInChI=1S/C16H24N2/c1-13-7-8-16(18-10-3-2-4-11-18)14(12-13)15-6-5-9-17-15/h7-8,12,15,17H,2-6,9-11H2,1H3
InChIKeyVECREKSCWKFRDL-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.41
Rot. Bonds2

About 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine

1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine (PubChem CID 117363390) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine.

Molecular Properties

Compound Name1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine
PubChem CID117363390
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine
SMILESCc1ccc(N2CCCCC2)c(C2CCCN2)c1
InChIInChI=1S/C16H24N2/c1-13-7-8-16(18-10-3-2-4-11-18)14(12-13)15-6-5-9-17-15/h7-8,12,15,17H,2-6,9-11H2,1H3
InChIKeyVECREKSCWKFRDL-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-2-pyrrolidin-2-ylphenyl)piperidine
CID 117374397
1-(4,5-difluoro-2-pyrrolidin-2-ylphenyl)pyrrolidine
CID 117116805
(2R)-2-(2-fluoro-5-methylphenyl)pyrrolidine;hydrochloride
CID 66518747
5-methyl-2-pyrrolidin-2-ylphenol
CID 55283329
(2R)-2-(2-fluoro-4-methylphenyl)pyrrolidine;hydrochloride
CID 171195863
1-(2-fluoro-5-methylphenyl)-4-methyl-1,5-diazocane
CID 55031715
2-methyl-6-piperidin-1-yl-3-piperidin-2-ylpyridine
CID 102543209
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
1-(2-fluoro-4-methylphenyl)-5-pyrrolidin-2-ylimidazole
CID 114703942
4-ethyl-1-(2-fluoro-5-methylphenyl)-1,5-diazocane
CID 54973402

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine?
The IUPAC name of 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine (CID 117363390) is 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine.
What is the SMILES notation for 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine?
The canonical SMILES for 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine is Cc1ccc(N2CCCCC2)c(C2CCCN2)c1.
What is the InChIKey of 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine?
The InChIKey is VECREKSCWKFRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-13-7-8-16(18-10-3-2-4-11-18)14(12-13)15-6-5-9-17-15/h7-8,12,15,17H,2-6,9-11H2,1H3.
What are the key properties of 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine?
1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine has a molecular weight of 244.38 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyrrolidin-2-ylphenyl)piperidine is sourced from PubChem (CID 117363390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).