4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine

C17H21N3 — CID 95839904

IUPAC4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
SMILESCc1nccc([C@@H]2CCCCN2Cc2ccccc2)n1
InChIInChI=1S/C17H21N3/c1-14-18-11-10-16(19-14)17-9-5-6-12-20(17)13-15-7-3-2-4-8-15/h2-4,7-8,10-11,17H,5-6,9,12-13H2,1H3/t17-/m0/s1
InChIKeyLXPAICJYVKKCAB-KRWDZBQOSA-N
MW267.38 g/mol
LogP3.51
Rot. Bonds3

About 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine

4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine (PubChem CID 95839904) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
PubChem CID95839904
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
SMILESCc1nccc([C@@H]2CCCCN2Cc2ccccc2)n1
InChIInChI=1S/C17H21N3/c1-14-18-11-10-16(19-14)17-9-5-6-12-20(17)13-15-7-3-2-4-8-15/h2-4,7-8,10-11,17H,5-6,9,12-13H2,1H3/t17-/m0/s1
InChIKeyLXPAICJYVKKCAB-KRWDZBQOSA-N
XLogP3.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
2-methyl-4-[1-(thiophen-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244795
4-[(2R)-1-[(3-methylphenyl)methyl]piperidin-2-yl]pyrimidin-2-amine
CID 95845166
4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrrolidin-2-yl]-2-methylpyrimidine
CID 110103816
4-[(2S)-1-benzylpyrrolidin-2-yl]-2-methylpyridine
CID 124500070
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95051321
2-(1-benzylpiperidin-2-yl)-3-methylpyridine
CID 102539039
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
2-[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]ethanol
CID 110269173
3-(1-benzylpiperidin-2-yl)-2-(2,5-dimethylpyrrol-1-yl)pyridine
CID 102541932
2-[5-[[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methyl]furan-2-yl]benzoic acid
CID 110097069
N-methyl-4-[(2R)-1-[[2-(methylamino)pyrimidin-5-yl]methyl]piperidin-2-yl]pyrimidin-2-amine
CID 124967538

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine?
The IUPAC name of 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine (CID 95839904) is 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine?
The canonical SMILES for 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine is Cc1nccc([C@@H]2CCCCN2Cc2ccccc2)n1.
What is the InChIKey of 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine?
The InChIKey is LXPAICJYVKKCAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3/c1-14-18-11-10-16(19-14)17-9-5-6-12-20(17)13-15-7-3-2-4-8-15/h2-4,7-8,10-11,17H,5-6,9,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine?
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine has a molecular weight of 267.38 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine is sourced from PubChem (CID 95839904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).