4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine

C12H18FNO — CID 164543507

IUPAC4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
SMILESFC1=CC=C(COC2CCNCC2)CC1
InChIInChI=1S/C12H18FNO/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1,3,12,14H,2,4-9H2
InChIKeyMHBBRRZOBWZORE-UHFFFAOYSA-N
MW211.28 g/mol
LogP2.33
Rot. Bonds3

About 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine

4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine (PubChem CID 164543507) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine.

Molecular Properties

Compound Name4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
PubChem CID164543507
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine
SMILESFC1=CC=C(COC2CCNCC2)CC1
InChIInChI=1S/C12H18FNO/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1,3,12,14H,2,4-9H2
InChIKeyMHBBRRZOBWZORE-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)morpholine
CID 69965133
4-(4-Fluorocyclohexa-2,4-dien-1-yl)oxypiperidine
CID 89672767
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
CID 118312426
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine;ethane
CID 142380154
4-[[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxymethyl]piperidine
CID 142853164
3-[(5-Fluorocyclohexa-1,5-dien-1-yl)oxymethyl]piperidine
CID 143089574
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
4-Cyclohexa-1,5-dien-1-yloxy-3,3-difluoropiperidine
CID 142380155
4-[[4-(2,2,3,3-Tetrafluoropropoxymethyl)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 162577750
4-[5-Methyl-3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 162578474

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine?
The IUPAC name of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine (CID 164543507) is 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine.
What is the SMILES notation for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine?
The canonical SMILES for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine is FC1=CC=C(COC2CCNCC2)CC1.
What is the InChIKey of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine?
The InChIKey is MHBBRRZOBWZORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c13-11-3-1-10(2-4-11)9-15-12-5-7-14-8-6-12/h1,3,12,14H,2,4-9H2.
What are the key properties of 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine?
4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine has a molecular weight of 211.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorocyclohexa-1,3-dien-1-yl)methoxy]piperidine is sourced from PubChem (CID 164543507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).