2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C20H30FN3O — CID 99642062

IUPAC2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CN1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H30FN3O/c1-17-6-4-5-10-24(17)20(25)16-23-14-12-22(13-15-23)11-9-18-7-2-3-8-19(18)21/h2-3,7-8,17H,4-6,9-16H2,1H3/t17-/m1/s1
InChIKeyYUEVSNPWJIAXBH-QGZVFWFLSA-N
MW347.48 g/mol
LogP2.39
Rot. Bonds5

About 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 99642062) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID99642062
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CN1CCN(CCc2ccccc2F)CC1
InChIInChI=1S/C20H30FN3O/c1-17-6-4-5-10-24(17)20(25)16-23-14-12-22(13-15-23)11-9-18-7-2-3-8-19(18)21/h2-3,7-8,17H,4-6,9-16H2,1H3/t17-/m1/s1
InChIKeyYUEVSNPWJIAXBH-QGZVFWFLSA-N
XLogP2.39
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone with MolForge

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Related Compounds

N-[(2-fluorophenyl)methyl]-2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045272
2-(2-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 127119816
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 95648491
2-[4-(2-methylphenyl)piperazin-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 92987749
1-[(2R)-2-methylpiperidin-1-yl]-2-[4-[(2S)-2-phenylpropyl]piperazin-1-yl]ethanone
CID 95353092
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651
N-[[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]methyl]-N-methyl-2-piperidin-1-ylacetamide
CID 25461385
2-(2-chloro-6-fluorophenyl)-1-(2-methylpiperidin-1-yl)ethanone
CID 25252634
3-(2-chlorophenyl)-1-(2-methylpiperidin-1-yl)propan-1-one
CID 78785123
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 79410340
2-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 37158782

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 99642062) is 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCCN1C(=O)CN1CCN(CCc2ccccc2F)CC1.
What is the InChIKey of 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is YUEVSNPWJIAXBH-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30FN3O/c1-17-6-4-5-10-24(17)20(25)16-23-14-12-22(13-15-23)11-9-18-7-2-3-8-19(18)21/h2-3,7-8,17H,4-6,9-16H2,1H3/t17-/m1/s1.
What are the key properties of 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 347.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 99642062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).