1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine

C14H23FN2 — CID 167025559

IUPAC1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
SMILESC=C/C(C)=C\C(F)=C(/C)N1CCC(NC)CC1
InChIInChI=1S/C14H23FN2/c1-5-11(2)10-14(15)12(3)17-8-6-13(16-4)7-9-17/h5,10,13,16H,1,6-9H2,2-4H3/b11-10-,14-12-
InChIKeyNCFPBFGRPLAWLQ-QDUUWUCGSA-N
MW238.35 g/mol
LogP3.00
Rot. Bonds4

About 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine

1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine (PubChem CID 167025559) has the molecular formula C14H23FN2 and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
PubChem CID167025559
Molecular FormulaC14H23FN2
Molecular Weight238.35 g/mol
Exact Mass238.18
IUPAC Name1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
SMILESC=C/C(C)=C\C(F)=C(/C)N1CCC(NC)CC1
InChIInChI=1S/C14H23FN2/c1-5-11(2)10-14(15)12(3)17-8-6-13(16-4)7-9-17/h5,10,13,16H,1,6-9H2,2-4H3/b11-10-,14-12-
InChIKeyNCFPBFGRPLAWLQ-QDUUWUCGSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine (CID 167025559) is 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine is C=C/C(C)=C\C(F)=C(/C)N1CCC(NC)CC1.
What is the InChIKey of 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine?
The InChIKey is NCFPBFGRPLAWLQ-QDUUWUCGSA-N. The full InChI is InChI=1S/C14H23FN2/c1-5-11(2)10-14(15)12(3)17-8-6-13(16-4)7-9-17/h5,10,13,16H,1,6-9H2,2-4H3/b11-10-,14-12-.
What are the key properties of 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine?
1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine has a molecular weight of 238.35 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 167025559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).