1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine

C23H28F2N2 — CID 142873363

IUPAC1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine
SMILESC=C/C=c1/c(NC2CCCN(CC3=C(F)CCC=C3F)C2)ccc/c1=C/C
InChIInChI=1S/C23H28F2N2/c1-3-8-19-17(4-2)9-5-13-23(19)26-18-10-7-14-27(15-18)16-20-21(24)11-6-12-22(20)25/h3-5,8-9,11,13,18,26H,1,6-7,10,12,14-16H2,2H3/b17-4-,19-8+
InChIKeyBUNLYZYHTRUMIR-ZOKOEXPXSA-N
MW370.49 g/mol
LogP4.20
Rot. Bonds5

About 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine

1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine (PubChem CID 142873363) has the molecular formula C23H28F2N2 and a molecular weight of 370.49 g/mol. Its IUPAC name is 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine
PubChem CID142873363
Molecular FormulaC23H28F2N2
Molecular Weight370.49 g/mol
Exact Mass370.22
IUPAC Name1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine
SMILESC=C/C=c1/c(NC2CCCN(CC3=C(F)CCC=C3F)C2)ccc/c1=C/C
InChIInChI=1S/C23H28F2N2/c1-3-8-19-17(4-2)9-5-13-23(19)26-18-10-7-14-27(15-18)16-20-21(24)11-6-12-22(20)25/h3-5,8-9,11,13,18,26H,1,6-7,10,12,14-16H2,2H3/b17-4-,19-8+
InChIKeyBUNLYZYHTRUMIR-ZOKOEXPXSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine with MolForge

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Related Compounds

Indenotryptoline
CID 129860370
6-(5-fluorocyclohexa-1,5-dien-1-yl)-2-methyl-N-piperidin-4-yl-3,8a-dihydro-1H-isoquinolin-8-amine
CID 68244407
(3R)-1-(cyclohexa-2,4-dien-1-ylmethyl)-3-[[6-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]methyl]piperazine
CID 70281446
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
6-(3-fluoro-1,2-dihydropyridin-4-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903865
6-(4-fluoro-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903871
6-(2-fluoro-5-methyl-1,2-dihydropyridin-3-yl)-N-piperidin-4-yl-2,3-dihydroisoquinolin-8-amine
CID 70903928
(3E)-4-[4-[(3E)-3-ethyl-5-fluoro-6-methylhepta-1,3,5-trien-2-yl]piperazin-1-yl]-N-(2-methylpropyl)penta-1,3-dien-2-amine
CID 88576759
N-[(5Z,6E)-6-(aminomethylidene)-3-(2,6-difluoro-1,2-dihydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 88905205
N-[(5Z,6E)-3-[(1E,3E)-1-amino-4-fluorohexa-1,3,5-trien-2-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085334
N-[(5Z,6E)-6-(aminomethylidene)-3-(4-fluoro-3-methyl-1,2-dihydropyridin-5-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085336
N-[(5Z,6E)-6-(aminomethylidene)-3-[6-(fluoromethyl)-1,2-dihydropyridin-4-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085340

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine?
The IUPAC name of 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine (CID 142873363) is 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine.
What is the SMILES notation for 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine?
The canonical SMILES for 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine is C=C/C=c1/c(NC2CCCN(CC3=C(F)CCC=C3F)C2)ccc/c1=C/C.
What is the InChIKey of 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine?
The InChIKey is BUNLYZYHTRUMIR-ZOKOEXPXSA-N. The full InChI is InChI=1S/C23H28F2N2/c1-3-8-19-17(4-2)9-5-13-23(19)26-18-10-7-14-27(15-18)16-20-21(24)11-6-12-22(20)25/h3-5,8-9,11,13,18,26H,1,6-7,10,12,14-16H2,2H3/b17-4-,19-8+.
What are the key properties of 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine?
1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine has a molecular weight of 370.49 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorocyclohexa-1,5-dien-1-yl)methyl]-N-[(5Z,6E)-5-ethylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-3-amine is sourced from PubChem (CID 142873363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).