[1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate

C20H23F2N3O2 — CID 69019041

IUPAC[1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
SMILESCC(C)(Cc1cccc(-c2cccc(F)c2F)n1)OC(=O)N1CCNCC1
InChIInChI=1S/C20H23F2N3O2/c1-20(2,27-19(26)25-11-9-23-10-12-25)13-14-5-3-8-17(24-14)15-6-4-7-16(21)18(15)22/h3-8,23H,9-13H2,1-2H3
InChIKeyBTXUMHGBQHCCIJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.39
Rot. Bonds4

About [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate

[1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate (PubChem CID 69019041) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate.

Molecular Properties

Compound Name[1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
PubChem CID69019041
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name[1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate
SMILESCC(C)(Cc1cccc(-c2cccc(F)c2F)n1)OC(=O)N1CCNCC1
InChIInChI=1S/C20H23F2N3O2/c1-20(2,27-19(26)25-11-9-23-10-12-25)13-14-5-3-8-17(24-14)15-6-4-7-16(21)18(15)22/h3-8,23H,9-13H2,1-2H3
InChIKeyBTXUMHGBQHCCIJ-UHFFFAOYSA-N
XLogP3.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Phenylethyl 4-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]piperidine-1-carboxylate
CID 155549638
tert-butyl 4-[5-fluoro-6-({[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}methyl)pyridin-2-yl]piperidine-1-carboxylate
CID 68312703
Tert-butyl 4-[[(6-methyl-2-pyridinyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730224
tert-butyl N-[2-[[6-(trifluoromethyl)pyridin-2-yl]methyl]butyl]carbamate
CID 134850278
Tert-butyl 2-(aminomethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine-6-carboxylate
CID 124299649
tert-butyl N-[[(1S,2S)-1-benzyl-2-[6-(trifluoromethyl)-2-pyridinyl]cyclopropyl]methyl]carbamate
CID 162414768
Tert-butyl 4-[[(4-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 11246962
Tert-butyl-4-{6-[3,5-bis(trifluoromethyl)phenyl]-2-pyridinyl}-1-piperidinecarboxylate
CID 57556614
6-Allyl-3-(1-(5-(2,4-difluorophenyl)pyridin-2-yl)ethyl)-6-(4-fluorophenyl)-1,3-oxazinan-2-one
CID 58109531
tert-butyl N-[3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]propyl]carbamate
CID 58134832
Tert-butyl 4-[2-methyl-5-phenyl-6-(trifluoromethyl)pyridin-3-yl]piperazine-1-carboxylate
CID 58286986
Tert-butyl 4-[(5-fluoro-2-pyridinyl)-(pyridin-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 58793939

Frequently Asked Questions

What is the IUPAC name of [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
The IUPAC name of [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate (CID 69019041) is [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate.
What is the SMILES notation for [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
The canonical SMILES for [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate is CC(C)(Cc1cccc(-c2cccc(F)c2F)n1)OC(=O)N1CCNCC1.
What is the InChIKey of [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
The InChIKey is BTXUMHGBQHCCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-20(2,27-19(26)25-11-9-23-10-12-25)13-14-5-3-8-17(24-14)15-6-4-7-16(21)18(15)22/h3-8,23H,9-13H2,1-2H3.
What are the key properties of [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate?
[1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate has a molecular weight of 375.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(2,3-difluorophenyl)-2-pyridinyl]-2-methylpropan-2-yl] piperazine-1-carboxylate is sourced from PubChem (CID 69019041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).