1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine

C12H18FN — CID 123163019

IUPAC1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
SMILESFC1C=CC=CC1CN1CCCCC1
InChIInChI=1S/C12H18FN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7,11-12H,1,4-5,8-10H2
InChIKeyQEBZIGZENMCIDJ-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.55
Rot. Bonds2

About 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine

1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine (PubChem CID 123163019) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine.

Molecular Properties

Compound Name1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
PubChem CID123163019
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine
SMILESFC1C=CC=CC1CN1CCCCC1
InChIInChI=1S/C12H18FN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7,11-12H,1,4-5,8-10H2
InChIKeyQEBZIGZENMCIDJ-UHFFFAOYSA-N
XLogP2.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
The IUPAC name of 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine (CID 123163019) is 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine.
What is the SMILES notation for 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
The canonical SMILES for 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine is FC1C=CC=CC1CN1CCCCC1.
What is the InChIKey of 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
The InChIKey is QEBZIGZENMCIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c13-12-7-3-2-6-11(12)10-14-8-4-1-5-9-14/h2-3,6-7,11-12H,1,4-5,8-10H2.
What are the key properties of 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine?
1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine has a molecular weight of 195.28 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluorocyclohexa-2,4-dien-1-yl)methyl]piperidine is sourced from PubChem (CID 123163019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).