1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine

C14H21F3N2 — CID 144622857

IUPAC1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
SMILESC=C/C(=C(\C=C/C)NC1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-6-13(12(5-2)14(15,16)17)18-11-7-9-19(3)10-8-11/h4-6,11,18H,2,7-10H2,1,3H3/b6-4-,13-12-
InChIKeyOUWUSIJHNFHBDJ-SCEXNVPMSA-N
MW274.33 g/mol
LogP3.25
Rot. Bonds4

About 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine

1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine (PubChem CID 144622857) has the molecular formula C14H21F3N2 and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
PubChem CID144622857
Molecular FormulaC14H21F3N2
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine
SMILESC=C/C(=C(\C=C/C)NC1CCN(C)CC1)C(F)(F)F
InChIInChI=1S/C14H21F3N2/c1-4-6-13(12(5-2)14(15,16)17)18-11-7-9-19(3)10-8-11/h4-6,11,18H,2,7-10H2,1,3H3/b6-4-,13-12-
InChIKeyOUWUSIJHNFHBDJ-SCEXNVPMSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.25
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

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
(1E,3E)-1-N'-piperidin-4-yl-4-(trifluoromethyl)hexa-1,3,5-triene-1,1-diamine
CID 88252165
(2E,4Z)-4-[(4,4-difluoropiperidin-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 88905164
N-[(5Z,6E)-3-[(3E,5Z)-6-amino-7,7-difluorohepta-3,5-dien-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085346
3-N-piperidin-4-yl-5-(trifluoromethyl)cyclohexa-1,5-diene-1,3-diamine
CID 134408941
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745
(3R,4S)-3-fluoro-N-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]piperidin-4-amine
CID 137547755
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
CID 143209317
3-Methyl-1-[2-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
CID 143524161
(E)-4,4,4-trifluoro-3-methyl-2-(1-piperidin-1-ylethenyl)-N-propan-2-ylbut-2-en-1-amine
CID 144862403
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807
N-[(3Z)-5-fluoro-2-methylidenehexa-3,5-dienyl]-1-methylpiperidin-4-amine
CID 145515573

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine (CID 144622857) is 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine is C=C/C(=C(\C=C/C)NC1CCN(C)CC1)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine?
The InChIKey is OUWUSIJHNFHBDJ-SCEXNVPMSA-N. The full InChI is InChI=1S/C14H21F3N2/c1-4-6-13(12(5-2)14(15,16)17)18-11-7-9-19(3)10-8-11/h4-6,11,18H,2,7-10H2,1,3H3/b6-4-,13-12-.
What are the key properties of 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine?
1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine has a molecular weight of 274.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3Z,5Z)-3-(trifluoromethyl)hepta-1,3,5-trien-4-yl]piperidin-4-amine is sourced from PubChem (CID 144622857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).