[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine

C15H27FN2 — CID 143387135

IUPAC[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine
SMILESC=CCC(C)/C=C(\C)CN1CCC(F)(CN)CC1
InChIInChI=1S/C15H27FN2/c1-4-5-13(2)10-14(3)11-18-8-6-15(16,12-17)7-9-18/h4,10,13H,1,5-9,11-12,17H2,2-3H3/b14-10+
InChIKeyKJJCDLZSHIXQCO-GXDHUFHOSA-N
MW254.39 g/mol
LogP2.91
Rot. Bonds6

About [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine

[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine (PubChem CID 143387135) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine
PubChem CID143387135
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine
SMILESC=CCC(C)/C=C(\C)CN1CCC(F)(CN)CC1
InChIInChI=1S/C15H27FN2/c1-4-5-13(2)10-14(3)11-18-8-6-15(16,12-17)7-9-18/h4,10,13H,1,5-9,11-12,17H2,2-3H3/b14-10+
InChIKeyKJJCDLZSHIXQCO-GXDHUFHOSA-N
XLogP2.91
TPSA29.26 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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-Fluorocyclohexa-1,5-dien-1-yl)ethyl]-4-methylpiperidine
CID 70819928
4-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]piperidine
CID 89162763
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225
1-[(2E,3Z)-2-(2-fluoroethylidene)hexa-3,5-dienyl]-4-methylpiperidine
CID 89297752
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
2-[2-(4-Ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
CID 123501782
N-[[1-[(E)-5-fluoropent-3-enyl]piperidin-4-yl]methyl]ethanamine
CID 129055443
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841
4-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-1-methylpiperidine
CID 134365551
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperidine
CID 134365665
4-[(2Z,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidine
CID 134365676
4-(4-Fluorocyclohexa-1,5-dien-1-yl)-1-methylpiperidine
CID 134365678

Frequently Asked Questions

What is the IUPAC name of [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine?
The IUPAC name of [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine (CID 143387135) is [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine?
The canonical SMILES for [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine is C=CCC(C)/C=C(\C)CN1CCC(F)(CN)CC1.
What is the InChIKey of [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine?
The InChIKey is KJJCDLZSHIXQCO-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H27FN2/c1-4-5-13(2)10-14(3)11-18-8-6-15(16,12-17)7-9-18/h4,10,13H,1,5-9,11-12,17H2,2-3H3/b14-10+.
What are the key properties of [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine?
[1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine has a molecular weight of 254.39 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2E)-2,4-dimethylhepta-2,6-dienyl]-4-fluoropiperidin-4-yl]methanamine is sourced from PubChem (CID 143387135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).