4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine

C14H23F3N2 — CID 174047146

IUPAC4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
SMILESC=C(CC)C1CCNCC1N/C(=C\CC)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-4-6-13(14(15,16)17)19-12-9-18-8-7-11(12)10(3)5-2/h6,11-12,18-19H,3-5,7-9H2,1-2H3/b13-6-
InChIKeyJPBCAKCVKUUHRN-MLPAPPSSSA-N
MW276.35 g/mol
LogP3.38
Rot. Bonds5

About 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine

4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine (PubChem CID 174047146) has the molecular formula C14H23F3N2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine.

Molecular Properties

Compound Name4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
PubChem CID174047146
Molecular FormulaC14H23F3N2
Molecular Weight276.35 g/mol
Exact Mass276.18
IUPAC Name4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine
SMILESC=C(CC)C1CCNCC1N/C(=C\CC)C(F)(F)F
InChIInChI=1S/C14H23F3N2/c1-4-6-13(14(15,16)17)19-12-9-18-8-7-11(12)10(3)5-2/h6,11-12,18-19H,3-5,7-9H2,1-2H3/b13-6-
InChIKeyJPBCAKCVKUUHRN-MLPAPPSSSA-N
XLogP3.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine with MolForge

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Related Compounds

(1E,3E)-N,4-dimethyl-5-piperidin-4-yl-2-(trifluoromethyl)penta-1,3-dien-1-amine
CID 144022465
2-[(5-Fluorocyclohexa-2,4-dien-1-yl)methyl]-3-methylidenepiperazine
CID 144056501
6,7-dimethyl-3-[(E)-7,7,7-trifluoro-6-methylhept-5-en-3-yl]-2,3,4,5-tetrahydro-1H-1,4-diazepine
CID 147795061
4-[(4Z)-2,6-dimethylhepta-2,4,6-trien-3-yl]-2-(trifluoromethyl)piperidine
CID 154950790
4-[(4-Methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 163521059
(E)-2-N-[2-(4-amino-3a,6,7,7a-tetrahydro-1H-indol-3-yl)ethyl]-5,5,5-trifluoropent-3-ene-2,3-diamine
CID 163743201
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
N-(3,3-difluorobut-1-en-2-yl)-5-methylpiperidin-3-amine
CID 169691394
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620
2,2-difluoro-N-methyl-1-[5-methyl-3-[(Z)-prop-1-enyl]piperidin-2-yl]propan-1-amine
CID 176943362
1-[(2-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 106741221

Frequently Asked Questions

What is the IUPAC name of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
The IUPAC name of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine (CID 174047146) is 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine.
What is the SMILES notation for 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
The canonical SMILES for 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine is C=C(CC)C1CCNCC1N/C(=C\CC)C(F)(F)F.
What is the InChIKey of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
The InChIKey is JPBCAKCVKUUHRN-MLPAPPSSSA-N. The full InChI is InChI=1S/C14H23F3N2/c1-4-6-13(14(15,16)17)19-12-9-18-8-7-11(12)10(3)5-2/h6,11-12,18-19H,3-5,7-9H2,1-2H3/b13-6-.
What are the key properties of 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine?
4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine has a molecular weight of 276.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-en-2-yl-N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]piperidin-3-amine is sourced from PubChem (CID 174047146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).