1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine

C25H35FN4 — CID 118626072

IUPAC1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine
SMILESCCCCc1cc(-c2ccc(F)cc2)cc(N2CCN(CC[C@@H]3CCCN3)CC2)n1
InChIInChI=1S/C25H35FN4/c1-2-3-5-24-18-21(20-7-9-22(26)10-8-20)19-25(28-24)30-16-14-29(15-17-30)13-11-23-6-4-12-27-23/h7-10,18-19,23,27H,2-6,11-17H2,1H3/t23-/m0/s1
InChIKeyXNWKNSZECMIRGL-QHCPKHFHSA-N
MW410.58 g/mol
LogP4.49
Rot. Bonds8

About 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine

1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine (PubChem CID 118626072) has the molecular formula C25H35FN4 and a molecular weight of 410.58 g/mol. Its IUPAC name is 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine
PubChem CID118626072
Molecular FormulaC25H35FN4
Molecular Weight410.58 g/mol
Exact Mass410.28
IUPAC Name1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine
SMILESCCCCc1cc(-c2ccc(F)cc2)cc(N2CCN(CC[C@@H]3CCCN3)CC2)n1
InChIInChI=1S/C25H35FN4/c1-2-3-5-24-18-21(20-7-9-22(26)10-8-20)19-25(28-24)30-16-14-29(15-17-30)13-11-23-6-4-12-27-23/h7-10,18-19,23,27H,2-6,11-17H2,1H3/t23-/m0/s1
InChIKeyXNWKNSZECMIRGL-QHCPKHFHSA-N
XLogP4.49
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine with MolForge

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

Launch Full Analysis

Related Compounds

CID 125564
CID 125564
CID 598754
CID 598754
CID 204104
CID 204104
CID 9797240
CID 9797240
CID 24850786
CID 24850786
CID 118796328
CID 118796328
CID 697226
CID 697226
CID 697239
CID 697239
CID 950649
CID 950649
CID 24764596
CID 24764596
CID 24798098
CID 24798098
CID 25068753
CID 25068753

Frequently Asked Questions

What is the IUPAC name of 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine?
The IUPAC name of 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine (CID 118626072) is 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine.
What is the SMILES notation for 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine?
The canonical SMILES for 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine is CCCCc1cc(-c2ccc(F)cc2)cc(N2CCN(CC[C@@H]3CCCN3)CC2)n1.
What is the InChIKey of 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine?
The InChIKey is XNWKNSZECMIRGL-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H35FN4/c1-2-3-5-24-18-21(20-7-9-22(26)10-8-20)19-25(28-24)30-16-14-29(15-17-30)13-11-23-6-4-12-27-23/h7-10,18-19,23,27H,2-6,11-17H2,1H3/t23-/m0/s1.
What are the key properties of 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine?
1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine has a molecular weight of 410.58 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-butyl-4-(4-fluorophenyl)-2-pyridinyl]-4-[2-[(2S)-pyrrolidin-2-yl]ethyl]piperazine is sourced from PubChem (CID 118626072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).