2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine

C16H19N3 — CID 136528453

IUPAC2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
SMILESCc1nccc(N2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3/c1-13-17-10-7-16(18-13)19-11-8-15(9-12-19)14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyWVVUILIGLAFDQX-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.17
Rot. Bonds2

About 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine

2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine (PubChem CID 136528453) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
PubChem CID136528453
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine
SMILESCc1nccc(N2CCC(c3ccccc3)CC2)n1
InChIInChI=1S/C16H19N3/c1-13-17-10-7-16(18-13)19-11-8-15(9-12-19)14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3
InChIKeyWVVUILIGLAFDQX-UHFFFAOYSA-N
XLogP3.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-tert-butylpiperidin-1-yl)-2-methylpyrimidine
CID 58359326
N-methyl-1-(2-methylpyrimidin-4-yl)-N-propan-2-ylpiperidin-4-amine
CID 86777943
1-(6-chloro-2-methylpyrimidin-4-yl)-4-phenylazepane
CID 133286642
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
N-methyl-1-(2-methylpyrimidin-4-yl)-N-phenylpyrrolidin-3-amine
CID 136553102
2-methyl-4-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]pyrimidine
CID 72919107
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
4-(4-cyclopentylpiperazin-1-yl)-2-methylpyrimidine
CID 121184719
4-(4-phenylpiperidin-1-yl)-1,3-thiazole
CID 175743115
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
1-(2-methylpyrimidin-4-yl)piperidin-4-one
CID 62785662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine?
The IUPAC name of 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine (CID 136528453) is 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine is Cc1nccc(N2CCC(c3ccccc3)CC2)n1.
What is the InChIKey of 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine?
The InChIKey is WVVUILIGLAFDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-13-17-10-7-16(18-13)19-11-8-15(9-12-19)14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-12H2,1H3.
What are the key properties of 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine?
2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine has a molecular weight of 253.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 136528453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).