2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine

C20H21N3 — CID 56691173

IUPAC2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
SMILESCC1CCN(c2nccc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H21N3/c1-15-10-13-23(14-11-15)20-21-12-9-19(22-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-9,12,15H,10-11,13-14H2,1H3
InChIKeyMUYIFKXUEVXSPQ-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.53
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine

2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine (PubChem CID 56691173) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
PubChem CID56691173
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine
SMILESCC1CCN(c2nccc(-c3cccc4ccccc34)n2)CC1
InChIInChI=1S/C20H21N3/c1-15-10-13-23(14-11-15)20-21-12-9-19(22-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-9,12,15H,10-11,13-14H2,1H3
InChIKeyMUYIFKXUEVXSPQ-UHFFFAOYSA-N
XLogP4.53
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
4-chloro-2-(4-methylpiperidin-1-yl)pyrimidine
CID 130067368
3-[4-(methoxymethyl)piperidin-1-yl]-5-naphthalen-1-yl-1,2,4-triazine
CID 42362902
azane;2-(4-methylpiperidin-1-yl)pyrimidine
CID 70283358
2-(4-ethylpiperazin-1-yl)-4-(4-methylpiperidin-1-yl)pyrimidine
CID 112885063
7-methyl-6-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 50741291
4,7-dimethyl-3-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-[1,2,4]triazolo[5,1-c][1,2,4]triazine
CID 66498881
1-(5-naphthalen-1-yl-1,2,4-triazin-3-yl)azepane
CID 42508182
2-bromo-4-naphthalen-1-ylpyrimidine
CID 91926173
N-benzyl-N-ethyl-2-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112885264
1-[2-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112885319
4-methyl-2-naphthalen-1-ylpyridine
CID 13433020

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine (CID 56691173) is 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine is CC1CCN(c2nccc(-c3cccc4ccccc34)n2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
The InChIKey is MUYIFKXUEVXSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-15-10-13-23(14-11-15)20-21-12-9-19(22-20)18-8-4-6-16-5-2-3-7-17(16)18/h2-9,12,15H,10-11,13-14H2,1H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine?
2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine has a molecular weight of 303.41 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-4-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 56691173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).