1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine

C16H24FN3 — CID 117444808

IUPAC1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(C3CCCNC3)cc2F)CC1
InChIInChI=1S/C16H24FN3/c1-19-7-9-20(10-8-19)16-5-4-13(11-15(16)17)14-3-2-6-18-12-14/h4-5,11,14,18H,2-3,6-10,12H2,1H3
InChIKeyFNDLUSLWQSCVKI-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.04
Rot. Bonds2

About 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine

1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine (PubChem CID 117444808) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
PubChem CID117444808
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine
SMILESCN1CCN(c2ccc(C3CCCNC3)cc2F)CC1
InChIInChI=1S/C16H24FN3/c1-19-7-9-20(10-8-19)16-5-4-13(11-15(16)17)14-3-2-6-18-12-14/h4-5,11,14,18H,2-3,6-10,12H2,1H3
InChIKeyFNDLUSLWQSCVKI-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-piperidin-3-ylphenol
CID 82606236
2-fluoro-4-piperidin-3-ylbenzaldehyde;hydrochloride
CID 175797855
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
2-fluoro-5-[(3S)-piperidin-3-yl]aniline
CID 93478585
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
4-[(2-fluoro-4-piperidin-3-ylphenyl)methyl]morpholine
CID 117446553
[4-(2,4-dimethylphenyl)piperazin-1-yl]-(2-fluoro-4-pyrrolidin-3-ylphenyl)methanone
CID 141265309
N-(2-fluoro-4-piperidin-3-ylphenyl)-2-[1-(1-methylpiperidin-4-yl)ethyl]-1,6-naphthyridin-7-amine
CID 166940435
3-[3,4-bis(methylsulfanyl)phenyl]piperidine
CID 117386847
4-[2-fluoro-4-(piperidin-3-ylmethyl)phenyl]morpholine
CID 117446569
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
4-[4-(4-acetylpiperazin-1-yl)-3-fluorophenyl]piperidine-2,6-dione
CID 167463235

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine?
The IUPAC name of 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine (CID 117444808) is 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine is CN1CCN(c2ccc(C3CCCNC3)cc2F)CC1.
What is the InChIKey of 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine?
The InChIKey is FNDLUSLWQSCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-19-7-9-20(10-8-19)16-5-4-13(11-15(16)17)14-3-2-6-18-12-14/h4-5,11,14,18H,2-3,6-10,12H2,1H3.
What are the key properties of 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine?
1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine has a molecular weight of 277.39 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-piperidin-3-ylphenyl)-4-methylpiperazine is sourced from PubChem (CID 117444808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).