4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine

C17H20N2 — CID 124500070

IUPAC4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
SMILESCc1cc([C@@H]2CCCN2Cc2ccccc2)ccn1
InChIInChI=1S/C17H20N2/c1-14-12-16(9-10-18-14)17-8-5-11-19(17)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3/t17-/m0/s1
InChIKeyXLRWYEXAQQCLGG-KRWDZBQOSA-N
MW252.36 g/mol
LogP3.73
Rot. Bonds3

About 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine

4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine (PubChem CID 124500070) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine.

Molecular Properties

Compound Name4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
PubChem CID124500070
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
SMILESCc1cc([C@@H]2CCCN2Cc2ccccc2)ccn1
InChIInChI=1S/C17H20N2/c1-14-12-16(9-10-18-14)17-8-5-11-19(17)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3/t17-/m0/s1
InChIKeyXLRWYEXAQQCLGG-KRWDZBQOSA-N
XLogP3.73
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-4-[(2R)-1-propylpyrrolidin-2-yl]pyridine
CID 124500080
2-[4-[[(2R)-2-(2-methyl-4-pyridinyl)pyrrolidin-1-yl]methyl]pyrazol-1-yl]benzoic acid
CID 125026993
2-methyl-4-(1-phenylpyrrolidin-2-yl)pyridine
CID 138975238
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-(1-benzylpyrrolidin-2-yl)-N,N,3-trimethylpyridin-2-amine
CID 102542845
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
CID 102539234
2-[(2R)-1-benzylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 124978577
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
3-[6-(1-benzylpyrrolidin-2-yl)-2-methylpyrimidin-4-yl]propanoic acid
CID 132764003
5-(1-benzylpyrrolidin-2-yl)-4-methyl-2-pyrrolidin-1-ylpyridine
CID 102542973

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine?
The IUPAC name of 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine (CID 124500070) is 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine.
What is the SMILES notation for 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine?
The canonical SMILES for 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine is Cc1cc([C@@H]2CCCN2Cc2ccccc2)ccn1.
What is the InChIKey of 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine?
The InChIKey is XLRWYEXAQQCLGG-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2/c1-14-12-16(9-10-18-14)17-8-5-11-19(17)13-15-6-3-2-4-7-15/h2-4,6-7,9-10,12,17H,5,8,11,13H2,1H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine?
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine has a molecular weight of 252.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine is sourced from PubChem (CID 124500070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).