(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine

C12H18F2N2 — CID 163241437

IUPAC(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
SMILESC=C/C(=C(N)\C=C/C)N1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2/c1-3-5-10(15)11(4-2)16-8-6-12(13,14)7-9-16/h3-5H,2,6-9,15H2,1H3/b5-3-,11-10-
InChIKeyQJDMLFDRVFICPC-KECVDKFLSA-N
MW228.29 g/mol
LogP2.65
Rot. Bonds3

About (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine

(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine (PubChem CID 163241437) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine.

Molecular Properties

Compound Name(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
PubChem CID163241437
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
SMILESC=C/C(=C(N)\C=C/C)N1CCC(F)(F)CC1
InChIInChI=1S/C12H18F2N2/c1-3-5-10(15)11(4-2)16-8-6-12(13,14)7-9-16/h3-5H,2,6-9,15H2,1H3/b5-3-,11-10-
InChIKeyQJDMLFDRVFICPC-KECVDKFLSA-N
XLogP2.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(1Z,3E)-3-fluoro-2-piperidin-1-ylhexa-1,3,5-trien-1-amine
CID 144287729
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
CID 144622857
(2Z,4Z)-2-(4,4-difluoropiperidin-1-yl)hepta-2,4,6-trien-3-amine
CID 156371502
2-(4,4-Difluoropiperidin-1-yl)cyclohexa-1,5-dien-1-amine
CID 156371503
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
ethane;(3Z)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]hexa-1,3,5-trien-3-amine
CID 156796792
(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine
CID 156796668
(3E,5E)-6-piperidin-1-ylhexa-1,3,5-trien-3-amine
CID 89154018
(3Z,5Z)-4-piperidin-1-ylhepta-1,3,5-triene-2,3-diamine
CID 135234562
(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine
CID 139316986
(2Z,4Z)-N-methyl-3-piperidin-1-ylhepta-2,4,6-trien-2-amine
CID 143800937

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine?
The IUPAC name of (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine (CID 163241437) is (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine.
What is the SMILES notation for (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine?
The canonical SMILES for (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine is C=C/C(=C(N)\C=C/C)N1CCC(F)(F)CC1.
What is the InChIKey of (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine?
The InChIKey is QJDMLFDRVFICPC-KECVDKFLSA-N. The full InChI is InChI=1S/C12H18F2N2/c1-3-5-10(15)11(4-2)16-8-6-12(13,14)7-9-16/h3-5H,2,6-9,15H2,1H3/b5-3-,11-10-.
What are the key properties of (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine?
(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine has a molecular weight of 228.29 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine is sourced from PubChem (CID 163241437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).