1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine

C20H26FN3S — CID 92689876

IUPAC1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
SMILESFc1ccccc1N1CCN([C@H]2CCCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C20H26FN3S/c21-19-7-1-2-8-20(19)24-12-10-23(11-13-24)17-5-3-9-22(15-17)16-18-6-4-14-25-18/h1-2,4,6-8,14,17H,3,5,9-13,15-16H2/t17-/m0/s1
InChIKeyNMJBZAXBVRSGDP-KRWDZBQOSA-N
MW359.51 g/mol
LogP3.67
Rot. Bonds4

About 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine

1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine (PubChem CID 92689876) has the molecular formula C20H26FN3S and a molecular weight of 359.51 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
PubChem CID92689876
Molecular FormulaC20H26FN3S
Molecular Weight359.51 g/mol
Exact Mass359.18
IUPAC Name1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine
SMILESFc1ccccc1N1CCN([C@H]2CCCN(Cc3cccs3)C2)CC1
InChIInChI=1S/C20H26FN3S/c21-19-7-1-2-8-20(19)24-12-10-23(11-13-24)17-5-3-9-22(15-17)16-18-6-4-14-25-18/h1-2,4,6-8,14,17H,3,5,9-13,15-16H2/t17-/m0/s1
InChIKeyNMJBZAXBVRSGDP-KRWDZBQOSA-N
XLogP3.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]-4-(2-fluorophenyl)piperazine
CID 45199577
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
4-[[(3R)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-2,6-dimethylphenol
CID 51636098
1-(2-fluorophenyl)-4-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]piperazine
CID 51635907
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
2-[[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 31048886
3-(2-chloroethyl)-1-(thiophen-2-ylmethyl)piperidine
CID 63388568
1-cyclohexyl-4-(2-fluorophenyl)piperazine;propane
CID 143719363
2-[(2-fluorophenyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 49234263
1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 26491115
4-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]morpholine
CID 172905616
2-amino-1-[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 56887015

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine (CID 92689876) is 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine is Fc1ccccc1N1CCN([C@H]2CCCN(Cc3cccs3)C2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine?
The InChIKey is NMJBZAXBVRSGDP-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26FN3S/c21-19-7-1-2-8-20(19)24-12-10-23(11-13-24)17-5-3-9-22(15-17)16-18-6-4-14-25-18/h1-2,4,6-8,14,17H,3,5,9-13,15-16H2/t17-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine?
1-(2-fluorophenyl)-4-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine has a molecular weight of 359.51 g/mol, XLogP of 3.67, 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-(thiophen-2-ylmethyl)piperidin-3-yl]piperazine is sourced from PubChem (CID 92689876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).