(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine

C16H18FN3 — CID 69230449

IUPAC(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1cc(F)cc(-c2cccnc2)c1
InChIInChI=1S/C16H18FN3/c1-12-10-19-5-6-20(12)16-8-14(7-15(17)9-16)13-3-2-4-18-11-13/h2-4,7-9,11-12,19H,5-6,10H2,1H3/t12-/m0/s1
InChIKeyMKUBXSLBNISCDT-LBPRGKRZSA-N
MW271.34 g/mol
LogP2.69
Rot. Bonds2

About (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine

(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine (PubChem CID 69230449) has the molecular formula C16H18FN3 and a molecular weight of 271.34 g/mol. Its IUPAC name is (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine.

Molecular Properties

Compound Name(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine
PubChem CID69230449
Molecular FormulaC16H18FN3
Molecular Weight271.34 g/mol
Exact Mass271.15
IUPAC Name(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine
SMILESC[C@H]1CNCCN1c1cc(F)cc(-c2cccnc2)c1
InChIInChI=1S/C16H18FN3/c1-12-10-19-5-6-20(12)16-8-14(7-15(17)9-16)13-3-2-4-18-11-13/h2-4,7-9,11-12,19H,5-6,10H2,1H3/t12-/m0/s1
InChIKeyMKUBXSLBNISCDT-LBPRGKRZSA-N
XLogP2.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine?
The IUPAC name of (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine (CID 69230449) is (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine.
What is the SMILES notation for (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine?
The canonical SMILES for (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine is C[C@H]1CNCCN1c1cc(F)cc(-c2cccnc2)c1.
What is the InChIKey of (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine?
The InChIKey is MKUBXSLBNISCDT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H18FN3/c1-12-10-19-5-6-20(12)16-8-14(7-15(17)9-16)13-3-2-4-18-11-13/h2-4,7-9,11-12,19H,5-6,10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine?
(2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine has a molecular weight of 271.34 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-fluoro-5-pyridin-3-ylphenyl)-2-methylpiperazine is sourced from PubChem (CID 69230449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).