2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine

C18H35F2N3 — CID 154671442

IUPAC2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine
SMILESCCN1CCC(CCN2CCN(CC(C)C)C(C(F)F)C2)CC1
InChIInChI=1S/C18H35F2N3/c1-4-21-8-5-16(6-9-21)7-10-22-11-12-23(13-15(2)3)17(14-22)18(19)20/h15-18H,4-14H2,1-3H3
InChIKeyLUXQIKMPHYCKEH-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.02
Rot. Bonds7

About 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine

2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine (PubChem CID 154671442) has the molecular formula C18H35F2N3 and a molecular weight of 331.50 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine
PubChem CID154671442
Molecular FormulaC18H35F2N3
Molecular Weight331.50 g/mol
Exact Mass331.28
IUPAC Name2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine
SMILESCCN1CCC(CCN2CCN(CC(C)C)C(C(F)F)C2)CC1
InChIInChI=1S/C18H35F2N3/c1-4-21-8-5-16(6-9-21)7-10-22-11-12-23(13-15(2)3)17(14-22)18(19)20/h15-18H,4-14H2,1-3H3
InChIKeyLUXQIKMPHYCKEH-UHFFFAOYSA-N
XLogP3.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine?
The IUPAC name of 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine (CID 154671442) is 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine.
What is the SMILES notation for 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine?
The canonical SMILES for 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine is CCN1CCC(CCN2CCN(CC(C)C)C(C(F)F)C2)CC1.
What is the InChIKey of 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine?
The InChIKey is LUXQIKMPHYCKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35F2N3/c1-4-21-8-5-16(6-9-21)7-10-22-11-12-23(13-15(2)3)17(14-22)18(19)20/h15-18H,4-14H2,1-3H3.
What are the key properties of 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine?
2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine has a molecular weight of 331.50 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-[2-(1-ethylpiperidin-4-yl)ethyl]-1-(2-methylpropyl)piperazine is sourced from PubChem (CID 154671442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).