2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine

C11H14F3N3 — CID 71134819

IUPAC2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCC1CCCN(c2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H14F3N3/c1-8-3-2-4-17(7-8)10-15-5-9(6-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3
InChIKeyHDNSGQUWGXWAAA-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.73
Rot. Bonds1

About 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine

2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine (PubChem CID 71134819) has the molecular formula C11H14F3N3 and a molecular weight of 245.25 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine
PubChem CID71134819
Molecular FormulaC11H14F3N3
Molecular Weight245.25 g/mol
Exact Mass245.11
IUPAC Name2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine
SMILESCC1CCCN(c2ncc(C(F)(F)F)cn2)C1
InChIInChI=1S/C11H14F3N3/c1-8-3-2-4-17(7-8)10-15-5-9(6-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3
InChIKeyHDNSGQUWGXWAAA-UHFFFAOYSA-N
XLogP2.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Chloro-5-fluoro-4-piperidin-1-ylpyrimidine
CID 2338458
4-Amino-2-(4-methyl-1-piperidinyl)-5-pyrimidinecarbonitrile
CID 25020934
4-(4,4-Difluoropiperidin-1-yl)-2-methyl-5-propylpyrimidine
CID 50982072
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-{[3-(1-Piperidinylmethyl)-1-piperidinyl]methyl}-2-(1-pyrrolidinyl)pyrimidine
CID 70744725
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 95857556
2-Methyl-5-(trifluoromethyl)pyrimidine
CID 10909872
2-(Piperazin-1-YL)-5-(trifluoromethyl)pyrimidine
CID 16314797
2-[4-(Difluoromethyl)piperidin-1-yl]pyrimidine
CID 126768331

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine (CID 71134819) is 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine is CC1CCCN(c2ncc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine?
The InChIKey is HDNSGQUWGXWAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3/c1-8-3-2-4-17(7-8)10-15-5-9(6-16-10)11(12,13)14/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine?
2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine has a molecular weight of 245.25 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 71134819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).