1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine

C14H21FN2O — CID 82298206

IUPAC1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
SMILESCOc1ccc(C(C)(C)N2CCNCC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-14(2,17-8-6-16-7-9-17)11-4-5-13(18-3)12(15)10-11/h4-5,10,16H,6-9H2,1-3H3
InChIKeyINTQKQFQQNORCW-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.97
Rot. Bonds3

About 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine

1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine (PubChem CID 82298206) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
PubChem CID82298206
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine
SMILESCOc1ccc(C(C)(C)N2CCNCC2)cc1F
InChIInChI=1S/C14H21FN2O/c1-14(2,17-8-6-16-7-9-17)11-4-5-13(18-3)12(15)10-11/h4-5,10,16H,6-9H2,1-3H3
InChIKeyINTQKQFQQNORCW-UHFFFAOYSA-N
XLogP1.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599169
1-[2-(3,5-difluorophenyl)propan-2-yl]piperazine
CID 82292772
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275028
1-[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-yl]piperazine
CID 95480576
2-(azepan-1-yl)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 61057480
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
(3S)-3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol
CID 171175450
(3R)-3-(3-fluoro-4-methoxyphenyl)-2,2-dimethyl-3-piperazin-1-ylpropan-1-ol;hydrochloride
CID 171178840
2-(4-hydroxy-3-methoxyphenyl)-2-piperazin-1-ylpropanamide
CID 60992391
2-(3-fluoro-4-methoxyphenyl)-2-methylpropanenitrile
CID 82075819
1-[(1R)-2-fluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171182335
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine?
The IUPAC name of 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine (CID 82298206) is 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine.
What is the SMILES notation for 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine?
The canonical SMILES for 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine is COc1ccc(C(C)(C)N2CCNCC2)cc1F.
What is the InChIKey of 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine?
The InChIKey is INTQKQFQQNORCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-14(2,17-8-6-16-7-9-17)11-4-5-13(18-3)12(15)10-11/h4-5,10,16H,6-9H2,1-3H3.
What are the key properties of 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine?
1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine has a molecular weight of 252.33 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluoro-4-methoxyphenyl)propan-2-yl]piperazine is sourced from PubChem (CID 82298206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).