1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine

C16H26FN — CID 143280243

IUPAC1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine
SMILESC/C=C(C)\C=C/C(CN1CCC(C)CC1)=C(\C)F
InChIInChI=1S/C16H26FN/c1-5-13(2)6-7-16(15(4)17)12-18-10-8-14(3)9-11-18/h5-7,14H,8-12H2,1-4H3/b7-6-,13-5-,16-15-
InChIKeyRCQJZJOKMFIUQP-LQQGWCIMSA-N
MW251.39 g/mol
LogP4.48
Rot. Bonds4

About 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine

1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine (PubChem CID 143280243) has the molecular formula C16H26FN and a molecular weight of 251.39 g/mol. Its IUPAC name is 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine
PubChem CID143280243
Molecular FormulaC16H26FN
Molecular Weight251.39 g/mol
Exact Mass251.20
IUPAC Name1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine
SMILESC/C=C(C)\C=C/C(CN1CCC(C)CC1)=C(\C)F
InChIInChI=1S/C16H26FN/c1-5-13(2)6-7-16(15(4)17)12-18-10-8-14(3)9-11-18/h5-7,14H,8-12H2,1-4H3/b7-6-,13-5-,16-15-
InChIKeyRCQJZJOKMFIUQP-LQQGWCIMSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine?
The IUPAC name of 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine (CID 143280243) is 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine?
The canonical SMILES for 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine is C/C=C(C)\C=C/C(CN1CCC(C)CC1)=C(\C)F.
What is the InChIKey of 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine?
The InChIKey is RCQJZJOKMFIUQP-LQQGWCIMSA-N. The full InChI is InChI=1S/C16H26FN/c1-5-13(2)6-7-16(15(4)17)12-18-10-8-14(3)9-11-18/h5-7,14H,8-12H2,1-4H3/b7-6-,13-5-,16-15-.
What are the key properties of 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine?
1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine has a molecular weight of 251.39 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,3Z,5Z)-2-(1-fluoroethylidene)-5-methylhepta-3,5-dienyl]-4-methylpiperidine is sourced from PubChem (CID 143280243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).