4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

C14H19F3N4 — CID 72921650

IUPAC4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)13-18-6-3-12(19-13)21-9-4-11(5-10-21)20-7-1-2-8-20/h3,6,11H,1-2,4-5,7-10H2
InChIKeyOLOQLGBYMOYRDD-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine

4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (PubChem CID 72921650) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
PubChem CID72921650
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1nccc(N2CCC(N3CCCC3)CC2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)13-18-6-3-12(19-13)21-9-4-11(5-10-21)20-7-1-2-8-20/h3,6,11H,1-2,4-5,7-10H2
InChIKeyOLOQLGBYMOYRDD-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Bmy 21502
CID 129930
8-Aza-5-azoniaspiro(4.5)decane, 8-(2-pyrimidinyl)-, bromide (1:1)
CID 657505
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 58227127
2-(Piperidin-1-yl)pyrimidine
CID 11446518
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
1-N,4-N-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 157010573
1-[6-(Pyrrolidin-1-YL)pyrimidin-4-YL]piperidin-3-amine
CID 53185814
4-(4-Aminopiperidin-1-yl)pyrimidin-2-amine
CID 49857012
4-N-piperidin-4-ylpyrimidine-2,4-diamine
CID 49857015
2-Chloro-4-(pyrrolidin-1-yl)pyrimidine
CID 10773821
2,4-Di(piperidin-1-yl)pyrimidine
CID 239987
4-Piperidin-1-ylpyrimidin-2-amine
CID 295758

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine (CID 72921650) is 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is FC(F)(F)c1nccc(N2CCC(N3CCCC3)CC2)n1.
What is the InChIKey of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
The InChIKey is OLOQLGBYMOYRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)13-18-6-3-12(19-13)21-9-4-11(5-10-21)20-7-1-2-8-20/h3,6,11H,1-2,4-5,7-10H2.
What are the key properties of 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine?
4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine has a molecular weight of 300.33 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrolidin-1-ylpiperidin-1-yl)-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 72921650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).