1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C19H27F3N4 — CID 24876993

IUPAC1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1
InChIInChI=1S/C19H27F3N4/c20-19(21,22)16-3-6-18(23-12-16)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2
InChIKeyPQRYCXGKSSFLBP-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.10
Rot. Bonds4

About 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine

1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 24876993) has the molecular formula C19H27F3N4 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID24876993
Molecular FormulaC19H27F3N4
Molecular Weight368.45 g/mol
Exact Mass368.22
IUPAC Name1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1
InChIInChI=1S/C19H27F3N4/c20-19(21,22)16-3-6-18(23-12-16)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2
InChIKeyPQRYCXGKSSFLBP-UHFFFAOYSA-N
XLogP3.10
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 24876993) is 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is FC(F)(F)c1ccc(N2CCN(CC3CCCN(C4CC4)C3)CC2)nc1.
What is the InChIKey of 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is PQRYCXGKSSFLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3N4/c20-19(21,22)16-3-6-18(23-12-16)25-10-8-24(9-11-25)13-15-2-1-7-26(14-15)17-4-5-17/h3,6,12,15,17H,1-2,4-5,7-11,13-14H2.
What are the key properties of 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 368.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropylpiperidin-3-yl)methyl]-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 24876993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).