6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine

C14H19F3N4 — CID 102717810

IUPAC6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)11-7-12(18)19-13(8-11)21-5-3-20(4-6-21)9-10-1-2-10/h7-8,10H,1-6,9H2,(H2,18,19)
InChIKeyJDBRVPRGSUJESZ-UHFFFAOYSA-N
MW300.33 g/mol
LogP2.21
Rot. Bonds3

About 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine

6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102717810) has the molecular formula C14H19F3N4 and a molecular weight of 300.33 g/mol. Its IUPAC name is 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102717810
Molecular FormulaC14H19F3N4
Molecular Weight300.33 g/mol
Exact Mass300.16
IUPAC Name6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(N2CCN(CC3CC3)CC2)n1
InChIInChI=1S/C14H19F3N4/c15-14(16,17)11-7-12(18)19-13(8-11)21-5-3-20(4-6-21)9-10-1-2-10/h7-8,10H,1-6,9H2,(H2,18,19)
InChIKeyJDBRVPRGSUJESZ-UHFFFAOYSA-N
XLogP2.21
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 102717512
1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102717213
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767336
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718838
6-(4-ethyl-4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718426
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
methyl N-[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 102719156
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691
6-N-cyclopropyl-6-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718663
6-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridin-2-amine
CID 80653539

Frequently Asked Questions

What is the IUPAC name of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine (CID 102717810) is 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(N2CCN(CC3CC3)CC2)n1.
What is the InChIKey of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JDBRVPRGSUJESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4/c15-14(16,17)11-7-12(18)19-13(8-11)21-5-3-20(4-6-21)9-10-1-2-10/h7-8,10H,1-6,9H2,(H2,18,19).
What are the key properties of 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine?
6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 300.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102717810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).