2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline

C21H28F2N4 — CID 126539357

IUPAC2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline
SMILESCC(C)(CNc1ccccc1F)N1CCN(CCc2ncccc2F)CC1
InChIInChI=1S/C21H28F2N4/c1-21(2,16-25-19-8-4-3-6-17(19)22)27-14-12-26(13-15-27)11-9-20-18(23)7-5-10-24-20/h3-8,10,25H,9,11-16H2,1-2H3
InChIKeyWLPPTWJBIDJNOH-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.41
Rot. Bonds7

About 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline

2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline (PubChem CID 126539357) has the molecular formula C21H28F2N4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline
PubChem CID126539357
Molecular FormulaC21H28F2N4
Molecular Weight374.48 g/mol
Exact Mass374.23
IUPAC Name2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline
SMILESCC(C)(CNc1ccccc1F)N1CCN(CCc2ncccc2F)CC1
InChIInChI=1S/C21H28F2N4/c1-21(2,16-25-19-8-4-3-6-17(19)22)27-14-12-26(13-15-27)11-9-20-18(23)7-5-10-24-20/h3-8,10,25H,9,11-16H2,1-2H3
InChIKeyWLPPTWJBIDJNOH-UHFFFAOYSA-N
XLogP3.41
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
CID 126509913
N-(3,4-dihydropyridin-6-yl)-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]propanamide
CID 139471561
N-[2-(4-ethylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62573377
2-fluoro-N-(2,2,2-trifluoroethyl)aniline
CID 28581729
1-N-(2-fluorophenyl)-2-methylpropane-1,2-diamine
CID 73013426
N-[2-(azepan-1-yl)ethyl]-2-fluoroaniline
CID 54807239
N-[(3-fluoro-2-pyridinyl)methyl]-2,2-dimethylpropan-1-amine
CID 115757254
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
CID 62932207
1-[(3-fluoro-2-pyridinyl)methyl]-4-propan-2-ylpiperazine
CID 126752862
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
CID 135374678
9-[2-(3-fluoro-2-pyridinyl)ethyl]-2-methyl-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;hydrochloride
CID 126744952
N-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-2-fluoroaniline
CID 62773690

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline?
The IUPAC name of 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline (CID 126539357) is 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline.
What is the SMILES notation for 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline?
The canonical SMILES for 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline is CC(C)(CNc1ccccc1F)N1CCN(CCc2ncccc2F)CC1.
What is the InChIKey of 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline?
The InChIKey is WLPPTWJBIDJNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N4/c1-21(2,16-25-19-8-4-3-6-17(19)22)27-14-12-26(13-15-27)11-9-20-18(23)7-5-10-24-20/h3-8,10,25H,9,11-16H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline?
2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline has a molecular weight of 374.48 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-[2-(3-fluoro-2-pyridinyl)ethyl]piperazin-1-yl]-2-methylpropyl]aniline is sourced from PubChem (CID 126539357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).