1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine

C13H15F4N3 — CID 79905316

IUPAC1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
SMILESFc1nc(F)c(F)c(N2CCN(CC3CC3)CC2)c1F
InChIInChI=1S/C13H15F4N3/c14-9-11(10(15)13(17)18-12(9)16)20-5-3-19(4-6-20)7-8-1-2-8/h8H,1-7H2
InChIKeyYGUSNSSAKBJNNS-UHFFFAOYSA-N
MW289.28 g/mol
LogP2.17
Rot. Bonds3

About 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine

1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine (PubChem CID 79905316) has the molecular formula C13H15F4N3 and a molecular weight of 289.28 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
PubChem CID79905316
Molecular FormulaC13H15F4N3
Molecular Weight289.28 g/mol
Exact Mass289.12
IUPAC Name1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
SMILESFc1nc(F)c(F)c(N2CCN(CC3CC3)CC2)c1F
InChIInChI=1S/C13H15F4N3/c14-9-11(10(15)13(17)18-12(9)16)20-5-3-19(4-6-20)7-8-1-2-8/h8H,1-7H2
InChIKeyYGUSNSSAKBJNNS-UHFFFAOYSA-N
XLogP2.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexyl-1-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]ethanone
CID 133372040
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine
CID 63785227
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 80799247
4-chloro-6-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
CID 106767336
6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 102717810
3-chloro-4-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2,5-thiadiazole
CID 61443480
1,4-bis(piperidin-4-ylmethyl)piperazine
CID 18770387
1-[4-(chloromethyl)-2-pyridinyl]-4-(cyclopropylmethyl)piperazine
CID 61445466
4-[4-(cyclopropylmethyl)piperazin-1-yl]-5-methylpyrimidin-2-amine
CID 80800020
1-(cyclobutylmethyl)azetidine
CID 89347168
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
1,4-bis(piperidin-4-ylmethyl)piperazine;tetrahydrochloride
CID 18770386

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The IUPAC name of 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine (CID 79905316) is 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The canonical SMILES for 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine is Fc1nc(F)c(F)c(N2CCN(CC3CC3)CC2)c1F.
What is the InChIKey of 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
The InChIKey is YGUSNSSAKBJNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N3/c14-9-11(10(15)13(17)18-12(9)16)20-5-3-19(4-6-20)7-8-1-2-8/h8H,1-7H2.
What are the key properties of 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine?
1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine has a molecular weight of 289.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine is sourced from PubChem (CID 79905316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).