4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine

C14H23FN4 — CID 174250061

IUPAC4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine
SMILESC/N=c1\cc(F)ccn1[C@H](C)C(C)N1CCNCC1
InChIInChI=1S/C14H23FN4/c1-11(18-8-5-17-6-9-18)12(2)19-7-4-13(15)10-14(19)16-3/h4,7,10-12,17H,5-6,8-9H2,1-3H3/b16-14+/t11?,12-/m1/s1
InChIKeyLVVIOWNMKOOXLW-LIXUJJFLSA-N
MW266.36 g/mol
LogP1.01
Rot. Bonds3

About 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine

4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine (PubChem CID 174250061) has the molecular formula C14H23FN4 and a molecular weight of 266.36 g/mol. Its IUPAC name is 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine.

Molecular Properties

Compound Name4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine
PubChem CID174250061
Molecular FormulaC14H23FN4
Molecular Weight266.36 g/mol
Exact Mass266.19
IUPAC Name4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine
SMILESC/N=c1\cc(F)ccn1[C@H](C)C(C)N1CCNCC1
InChIInChI=1S/C14H23FN4/c1-11(18-8-5-17-6-9-18)12(2)19-7-4-13(15)10-14(19)16-3/h4,7,10-12,17H,5-6,8-9H2,1-3H3/b16-14+/t11?,12-/m1/s1
InChIKeyLVVIOWNMKOOXLW-LIXUJJFLSA-N
XLogP1.01
TPSA32.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine?
The IUPAC name of 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine (CID 174250061) is 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine.
What is the SMILES notation for 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine?
The canonical SMILES for 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine is C/N=c1\cc(F)ccn1[C@H](C)C(C)N1CCNCC1.
What is the InChIKey of 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine?
The InChIKey is LVVIOWNMKOOXLW-LIXUJJFLSA-N. The full InChI is InChI=1S/C14H23FN4/c1-11(18-8-5-17-6-9-18)12(2)19-7-4-13(15)10-14(19)16-3/h4,7,10-12,17H,5-6,8-9H2,1-3H3/b16-14+/t11?,12-/m1/s1.
What are the key properties of 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine?
4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine has a molecular weight of 266.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine is sourced from PubChem (CID 174250061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).