2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine

C15H29F2N3 — CID 154671252

IUPAC2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine
SMILESCCCN1CCN(CCC2CCNCC2)CC1C(F)F
InChIInChI=1S/C15H29F2N3/c1-2-8-20-11-10-19(12-14(20)15(16)17)9-5-13-3-6-18-7-4-13/h13-15,18H,2-12H2,1H3
InChIKeyYFECPLMSUZPINH-UHFFFAOYSA-N
MW289.41 g/mol
LogP2.04
Rot. Bonds6

About 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine

2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine (PubChem CID 154671252) has the molecular formula C15H29F2N3 and a molecular weight of 289.41 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine
PubChem CID154671252
Molecular FormulaC15H29F2N3
Molecular Weight289.41 g/mol
Exact Mass289.23
IUPAC Name2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine
SMILESCCCN1CCN(CCC2CCNCC2)CC1C(F)F
InChIInChI=1S/C15H29F2N3/c1-2-8-20-11-10-19(12-14(20)15(16)17)9-5-13-3-6-18-7-4-13/h13-15,18H,2-12H2,1H3
InChIKeyYFECPLMSUZPINH-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine?
The IUPAC name of 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine (CID 154671252) is 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine.
What is the SMILES notation for 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine?
The canonical SMILES for 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine is CCCN1CCN(CCC2CCNCC2)CC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine?
The InChIKey is YFECPLMSUZPINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N3/c1-2-8-20-11-10-19(12-14(20)15(16)17)9-5-13-3-6-18-7-4-13/h13-15,18H,2-12H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine?
2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine has a molecular weight of 289.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine is sourced from PubChem (CID 154671252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).