(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine

C11H21F2N3 — CID 145230071

IUPAC(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine
SMILESCC/C(N)=C/NC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N3/c1-2-9(14)7-15-10-3-5-16(6-4-10)8-11(12)13/h7,10-11,15H,2-6,8,14H2,1H3/b9-7-
InChIKeyMTVOWVTVEVQWCZ-CLFYSBASSA-N
MW233.31 g/mol
LogP1.52
Rot. Bonds5

About (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine

(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine (PubChem CID 145230071) has the molecular formula C11H21F2N3 and a molecular weight of 233.31 g/mol. Its IUPAC name is (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine
PubChem CID145230071
Molecular FormulaC11H21F2N3
Molecular Weight233.31 g/mol
Exact Mass233.17
IUPAC Name(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine
SMILESCC/C(N)=C/NC1CCN(CC(F)F)CC1
InChIInChI=1S/C11H21F2N3/c1-2-9(14)7-15-10-3-5-16(6-4-10)8-11(12)13/h7,10-11,15H,2-6,8,14H2,1H3/b9-7-
InChIKeyMTVOWVTVEVQWCZ-CLFYSBASSA-N
XLogP1.52
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N'-[1-(2,2-difluoroethyl)piperidin-4-yl]ethene-1,2-diamine
CID 124187080
N-(4,4-dimethylpent-1-en-2-yl)-1-(2-fluoroethyl)piperidin-4-amine
CID 139448771
(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
CID 144862403
azane;(Z)-1-N-[1-(3,3-difluorocyclobutyl)piperidin-4-yl]-3-methylbut-1-ene-1,2-diamine
CID 145230026
(Z)-1-N-(5,5-difluoro-1-methylpiperidin-3-yl)prop-1-ene-1,2-diamine
CID 155330035
(Z)-1-N-(5,5-difluoropiperidin-3-yl)prop-1-ene-1,2-diamine
CID 155330089
(2Z)-5-methyl-2-(2,2,2-trifluoroethyl)-4,5,6,7,8,9-hexahydro-1H-1,4-diazonine
CID 155453758
1-ethenyl-3,3-difluoro-N-methylpiperidin-4-amine
CID 164926715
3-Fluoro-1-prop-1-en-2-ylpiperidin-4-amine
CID 171531053
1-But-1-en-2-yl-3-(difluoromethyl)piperazine
CID 172384286
3,3-Difluoro-1-prop-1-en-2-ylpiperidin-4-amine
CID 176921013
1-ethyl-3-fluoro-N-prop-1-en-2-ylpiperidin-4-amine
CID 178010367

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine (CID 145230071) is (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine is CC/C(N)=C/NC1CCN(CC(F)F)CC1.
What is the InChIKey of (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine?
The InChIKey is MTVOWVTVEVQWCZ-CLFYSBASSA-N. The full InChI is InChI=1S/C11H21F2N3/c1-2-9(14)7-15-10-3-5-16(6-4-10)8-11(12)13/h7,10-11,15H,2-6,8,14H2,1H3/b9-7-.
What are the key properties of (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine?
(Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine has a molecular weight of 233.31 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-[1-(2,2-difluoroethyl)piperidin-4-yl]but-1-ene-1,2-diamine is sourced from PubChem (CID 145230071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).