4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine

C16H28FN — CID 130216521

IUPAC4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
SMILESCCC/C(C)=C\C/C=C(\C)C1(F)CCN(C)CC1
InChIInChI=1S/C16H28FN/c1-5-7-14(2)8-6-9-15(3)16(17)10-12-18(4)13-11-16/h8-9H,5-7,10-13H2,1-4H3/b14-8-,15-9+
InChIKeyIGZINHXNVPWIRJ-DJJIWSAGSA-N
MW253.40 g/mol
LogP4.50
Rot. Bonds5

About 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine

4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine (PubChem CID 130216521) has the molecular formula C16H28FN and a molecular weight of 253.40 g/mol. Its IUPAC name is 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
PubChem CID130216521
Molecular FormulaC16H28FN
Molecular Weight253.40 g/mol
Exact Mass253.22
IUPAC Name4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine
SMILESCCC/C(C)=C\C/C=C(\C)C1(F)CCN(C)CC1
InChIInChI=1S/C16H28FN/c1-5-7-14(2)8-6-9-15(3)16(17)10-12-18(4)13-11-16/h8-9H,5-7,10-13H2,1-4H3/b14-8-,15-9+
InChIKeyIGZINHXNVPWIRJ-DJJIWSAGSA-N
XLogP4.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine?
The IUPAC name of 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine (CID 130216521) is 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine.
What is the SMILES notation for 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine?
The canonical SMILES for 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine is CCC/C(C)=C\C/C=C(\C)C1(F)CCN(C)CC1.
What is the InChIKey of 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine?
The InChIKey is IGZINHXNVPWIRJ-DJJIWSAGSA-N. The full InChI is InChI=1S/C16H28FN/c1-5-7-14(2)8-6-9-15(3)16(17)10-12-18(4)13-11-16/h8-9H,5-7,10-13H2,1-4H3/b14-8-,15-9+.
What are the key properties of 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine?
4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine has a molecular weight of 253.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-4-[(2E,5Z)-6-methylnona-2,5-dien-2-yl]piperidine is sourced from PubChem (CID 130216521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).