(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile

C14H18F2N2 — CID 143883909

IUPAC(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile
SMILESC=C(/C=C\C=C/C)C(C#N)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N2/c1-3-4-5-6-12(2)13(11-17)18-9-7-14(15,16)8-10-18/h3-6,13H,2,7-10H2,1H3/b4-3-,6-5-
InChIKeyMMWGUPDYEGZDJY-OUPQRBNQSA-N
MW252.31 g/mol
LogP3.30
Rot. Bonds4

About (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile

(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile (PubChem CID 143883909) has the molecular formula C14H18F2N2 and a molecular weight of 252.31 g/mol. Its IUPAC name is (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile.

Molecular Properties

Compound Name(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile
PubChem CID143883909
Molecular FormulaC14H18F2N2
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile
SMILESC=C(/C=C\C=C/C)C(C#N)N1CCC(F)(F)CC1
InChIInChI=1S/C14H18F2N2/c1-3-4-5-6-12(2)13(11-17)18-9-7-14(15,16)8-10-18/h3-6,13H,2,7-10H2,1H3/b4-3-,6-5-
InChIKeyMMWGUPDYEGZDJY-OUPQRBNQSA-N
XLogP3.30
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029
1-[(3E,7Z,9Z)-4-methyl-6-methylideneundeca-1,3,7,9-tetraen-5-yl]azetidine
CID 143151394
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142829570
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-3-methylazetidin-3-amine
CID 142322995
1-but-3-en-2-yl-3,3-difluoropyrrolidine
CID 130736637
2-methylhepta-1,3,5-triene
CID 54571604
2-(4,4-difluoropiperidin-1-yl)-2-(furan-3-yl)acetonitrile
CID 58228144
2-(4,4-difluoropiperidin-1-yl)-2-[2-(dimethylamino)pyrimidin-5-yl]acetonitrile
CID 58228438
2-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-2-(4,4-difluoropiperidin-1-yl)acetonitrile
CID 86716011
(3Z,5Z)-2-isocyanatohepta-1,3,5-triene
CID 135173533
(3Z,5Z)-2-methylidene-N-(1-phosphanylethyl)hepta-3,5-dien-1-amine
CID 176995030
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-methylpiperidine
CID 89363927

Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile?
The IUPAC name of (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile (CID 143883909) is (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile.
What is the SMILES notation for (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile?
The canonical SMILES for (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile is C=C(/C=C\C=C/C)C(C#N)N1CCC(F)(F)CC1.
What is the InChIKey of (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile?
The InChIKey is MMWGUPDYEGZDJY-OUPQRBNQSA-N. The full InChI is InChI=1S/C14H18F2N2/c1-3-4-5-6-12(2)13(11-17)18-9-7-14(15,16)8-10-18/h3-6,13H,2,7-10H2,1H3/b4-3-,6-5-.
What are the key properties of (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile?
(4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile has a molecular weight of 252.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-2-(4,4-difluoropiperidin-1-yl)-3-methylideneocta-4,6-dienenitrile is sourced from PubChem (CID 143883909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).