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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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).