N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine

C15H27FN2 — CID 143209317

IUPACN-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
SMILESCC/C=C(\C=C/C(C)F)CNC1CCN(C)CC1
InChIInChI=1S/C15H27FN2/c1-4-5-14(7-6-13(2)16)12-17-15-8-10-18(3)11-9-15/h5-7,13,15,17H,4,8-12H2,1-3H3/b7-6-,14-5+
InChIKeyQAVUGCRBFJFRDT-WFRORPSUSA-N
MW254.39 g/mol
LogP2.92
Rot. Bonds6

About N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine

N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine (PubChem CID 143209317) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
PubChem CID143209317
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC NameN-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine
SMILESCC/C=C(\C=C/C(C)F)CNC1CCN(C)CC1
InChIInChI=1S/C15H27FN2/c1-4-5-14(7-6-13(2)16)12-17-15-8-10-18(3)11-9-15/h5-7,13,15,17H,4,8-12H2,1-3H3/b7-6-,14-5+
InChIKeyQAVUGCRBFJFRDT-WFRORPSUSA-N
XLogP2.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 52.92
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-(2-fluoro-2-piperidin-4-ylideneethyl)propan-2-amine
CID 59342446
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70311004
N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
N-[(5Z,6E)-3-[(2Z,4E)-2-amino-1-fluorohepta-2,4-dien-4-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085351
(E)-N-ethyl-1-[(2S,6S)-6-[(2R)-2-fluoro-1,2-dihydropyridin-5-yl]-3-methylidene-2,6-dihydro-1H-pyridin-2-yl]-N-methylbut-2-en-2-amine
CID 89789243
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
2-(2,5-Difluorohexa-2,4-dien-3-yl)piperidine
CID 123481461
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
N'-[(Z,9S)-9-fluoro-4-methylidenedec-5-enyl]-N-methylpropane-1,3-diamine
CID 137402236
1-[(3E)-3-ethyl-2,2-difluorohexa-3,5-dienyl]piperidin-4-amine
CID 137467745

Frequently Asked Questions

What is the IUPAC name of N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine (CID 143209317) is N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine is CC/C=C(\C=C/C(C)F)CNC1CCN(C)CC1.
What is the InChIKey of N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine?
The InChIKey is QAVUGCRBFJFRDT-WFRORPSUSA-N. The full InChI is InChI=1S/C15H27FN2/c1-4-5-14(7-6-13(2)16)12-17-15-8-10-18(3)11-9-15/h5-7,13,15,17H,4,8-12H2,1-3H3/b7-6-,14-5+.
What are the key properties of N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine?
N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine has a molecular weight of 254.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,2E)-5-fluoro-2-propylidenehex-3-enyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 143209317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).