1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine

C22H29FN4 — CID 51635907

IUPAC1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
SMILESCc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n1
InChIInChI=1S/C22H29FN4/c1-18-6-4-7-19(24-18)16-25-11-5-8-20(17-25)26-12-14-27(15-13-26)22-10-3-2-9-21(22)23/h2-4,6-7,9-10,20H,5,8,11-17H2,1H3/t20-/m0/s1
InChIKeyKMKKKQKBAZMUGL-FQEVSTJZSA-N
MW368.50 g/mol
LogP3.32
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine

1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine (PubChem CID 51635907) has the molecular formula C22H29FN4 and a molecular weight of 368.50 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
PubChem CID51635907
Molecular FormulaC22H29FN4
Molecular Weight368.50 g/mol
Exact Mass368.24
IUPAC Name1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
SMILESCc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n1
InChIInChI=1S/C22H29FN4/c1-18-6-4-7-19(24-18)16-25-11-5-8-20(17-25)26-12-14-27(15-13-26)22-10-3-2-9-21(22)23/h2-4,6-7,9-10,20H,5,8,11-17H2,1H3/t20-/m0/s1
InChIKeyKMKKKQKBAZMUGL-FQEVSTJZSA-N
XLogP3.32
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]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

4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
2-methyl-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 74234895
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 24817356
1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
CID 92689876
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(2-fluorophenyl)piperazine
CID 45199577
1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-amine
CID 11160034
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
N-[[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 79267719
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine (CID 51635907) is 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine is Cc1cccc(CN2CCC[C@H](N3CCN(c4ccccc4F)CC3)C2)n1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine?
The InChIKey is KMKKKQKBAZMUGL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H29FN4/c1-18-6-4-7-19(24-18)16-25-11-5-8-20(17-25)26-12-14-27(15-13-26)22-10-3-2-9-21(22)23/h2-4,6-7,9-10,20H,5,8,11-17H2,1H3/t20-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine?
1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine has a molecular weight of 368.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine is sourced from PubChem (CID 51635907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).