4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine

C12H19ClFN — CID 143099834

IUPAC4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine
SMILESC/C=C\C(Cl)=C(/C)C1(F)CCN(C)CC1
InChIInChI=1S/C12H19ClFN/c1-4-5-11(13)10(2)12(14)6-8-15(3)9-7-12/h4-5H,6-9H2,1-3H3/b5-4-,11-10-
InChIKeyAUFJKHBWRWPYPR-NKIGAPEHSA-N
MW231.74 g/mol
LogP3.51
Rot. Bonds2

About 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine

4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine (PubChem CID 143099834) has the molecular formula C12H19ClFN and a molecular weight of 231.74 g/mol. Its IUPAC name is 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine.

Molecular Properties

Compound Name4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine
PubChem CID143099834
Molecular FormulaC12H19ClFN
Molecular Weight231.74 g/mol
Exact Mass231.12
IUPAC Name4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine
SMILESC/C=C\C(Cl)=C(/C)C1(F)CCN(C)CC1
InChIInChI=1S/C12H19ClFN/c1-4-5-11(13)10(2)12(14)6-8-15(3)9-7-12/h4-5H,6-9H2,1-3H3/b5-4-,11-10-
InChIKeyAUFJKHBWRWPYPR-NKIGAPEHSA-N
XLogP3.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.74
LogP ≤ 53.51
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 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine?
The IUPAC name of 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine (CID 143099834) is 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine.
What is the SMILES notation for 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine?
The canonical SMILES for 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine is C/C=C\C(Cl)=C(/C)C1(F)CCN(C)CC1.
What is the InChIKey of 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine?
The InChIKey is AUFJKHBWRWPYPR-NKIGAPEHSA-N. The full InChI is InChI=1S/C12H19ClFN/c1-4-5-11(13)10(2)12(14)6-8-15(3)9-7-12/h4-5H,6-9H2,1-3H3/b5-4-,11-10-.
What are the key properties of 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine?
4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine has a molecular weight of 231.74 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z,4Z)-3-chlorohexa-2,4-dien-2-yl]-4-fluoro-1-methylpiperidine is sourced from PubChem (CID 143099834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).