(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine

C9H17F2N3 — CID 155330035

IUPAC(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NC1CN(C)CC(F)(F)C1
InChIInChI=1S/C9H17F2N3/c1-7(12)4-13-8-3-9(10,11)6-14(2)5-8/h4,8,13H,3,5-6,12H2,1-2H3/b7-4-
InChIKeyGZMUBESENJHZAU-DAXSKMNVSA-N
MW205.25 g/mol
LogP0.74
Rot. Bonds2

About (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine

(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine (PubChem CID 155330035) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine
PubChem CID155330035
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC Name(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine
SMILESC/C(N)=C/NC1CN(C)CC(F)(F)C1
InChIInChI=1S/C9H17F2N3/c1-7(12)4-13-8-3-9(10,11)6-14(2)5-8/h4,8,13H,3,5-6,12H2,1-2H3/b7-4-
InChIKeyGZMUBESENJHZAU-DAXSKMNVSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine (CID 155330035) is (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine is C/C(N)=C/NC1CN(C)CC(F)(F)C1.
What is the InChIKey of (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine?
The InChIKey is GZMUBESENJHZAU-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-7(12)4-13-8-3-9(10,11)6-14(2)5-8/h4,8,13H,3,5-6,12H2,1-2H3/b7-4-.
What are the key properties of (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine?
(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine has a molecular weight of 205.25 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine is sourced from PubChem (CID 155330035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).