(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine

C12H18F2N2 — CID 156796668

IUPAC(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C)N1CCC(C(F)F)CC1
InChIInChI=1S/C12H18F2N2/c1-3-10(15)11(4-2)16-7-5-9(6-8-16)12(13)14/h3-4,9,12H,1-2,5-8,15H2/b11-10-
InChIKeyYLSOBTZGCPZSDY-KHPPLWFESA-N
MW228.29 g/mol
LogP2.51
Rot. Bonds4

About (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine

(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine (PubChem CID 156796668) has the molecular formula C12H18F2N2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine.

Molecular Properties

Compound Name(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine
PubChem CID156796668
Molecular FormulaC12H18F2N2
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine
SMILESC=C/C(N)=C(\C=C)N1CCC(C(F)F)CC1
InChIInChI=1S/C12H18F2N2/c1-3-10(15)11(4-2)16-7-5-9(6-8-16)12(13)14/h3-4,9,12H,1-2,5-8,15H2/b11-10-
InChIKeyYLSOBTZGCPZSDY-KHPPLWFESA-N
XLogP2.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.51
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

(2Z,4Z)-2-(4,4-difluoropiperidin-1-yl)hepta-2,4,6-trien-3-amine
CID 156371502
(3Z,5Z)-3-(4,4-difluoropiperidin-1-yl)hepta-1,3,5-trien-4-amine
CID 163241437
ethane;N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine
CID 166552581
1-[(3E)-hexa-1,3,5-trien-3-yl]-4-(trifluoromethyl)piperidine
CID 167300012
CID 169266454
CID 169266454
4-[4-(Trifluoromethyl)piperidin-1-yl]but-2-en-1-amine
CID 77110549
N-[(2Z)-3-[4-(trifluoromethyl)piperidin-1-yl]penta-2,4-dien-2-yl]methanimine
CID 166552582
(1Z,3E)-3-[4-(aminomethyl)piperidin-1-yl]hexa-1,3,5-trien-1-amine
CID 88978669
(3Z)-5-(4-methylpiperidin-1-yl)hexa-1,3,5-trien-2-amine
CID 142855721
(2E,4E,6Z)-5-(4-ethylpiperidin-1-yl)octa-2,4,6-trien-1-amine
CID 142858173
2-[1-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]ethanamine
CID 144452150
(Z)-but-2-ene;(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine;ethane
CID 156796667

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine?
The IUPAC name of (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine (CID 156796668) is (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine.
What is the SMILES notation for (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine?
The canonical SMILES for (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine is C=C/C(N)=C(\C=C)N1CCC(C(F)F)CC1.
What is the InChIKey of (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine?
The InChIKey is YLSOBTZGCPZSDY-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18F2N2/c1-3-10(15)11(4-2)16-7-5-9(6-8-16)12(13)14/h3-4,9,12H,1-2,5-8,15H2/b11-10-.
What are the key properties of (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine?
(3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine has a molecular weight of 228.29 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[4-(difluoromethyl)piperidin-1-yl]hexa-1,3,5-trien-3-amine is sourced from PubChem (CID 156796668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).