4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine

C14H22FN — CID 139409634

IUPAC4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC(C)C1=C(F)C=C(C2CCNCC2)CC1
InChIInChI=1S/C14H22FN/c1-10(2)13-4-3-12(9-14(13)15)11-5-7-16-8-6-11/h9-11,16H,3-8H2,1-2H3
InChIKeyBJYIYJJHQUQEEZ-UHFFFAOYSA-N
MW223.33 g/mol
LogP3.59
Rot. Bonds2

About 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine

4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine (PubChem CID 139409634) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine.

Molecular Properties

Compound Name4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
PubChem CID139409634
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
SMILESCC(C)C1=C(F)C=C(C2CCNCC2)CC1
InChIInChI=1S/C14H22FN/c1-10(2)13-4-3-12(9-14(13)15)11-5-7-16-8-6-11/h9-11,16H,3-8H2,1-2H3
InChIKeyBJYIYJJHQUQEEZ-UHFFFAOYSA-N
XLogP3.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
The IUPAC name of 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine (CID 139409634) is 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine.
What is the SMILES notation for 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
The canonical SMILES for 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine is CC(C)C1=C(F)C=C(C2CCNCC2)CC1.
What is the InChIKey of 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
The InChIKey is BJYIYJJHQUQEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)13-4-3-12(9-14(13)15)11-5-7-16-8-6-11/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine?
4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine has a molecular weight of 223.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine is sourced from PubChem (CID 139409634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).