1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine

C11H16F2N2 — CID 170070494

IUPAC1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine
SMILESFC1=CC(F)=C(CN2CCNCC2)CC1
InChIInChI=1S/C11H16F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h7,14H,1-6,8H2
InChIKeyORKUZHUGGLTNHD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.76
Rot. Bonds2

About 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine

1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine (PubChem CID 170070494) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine
PubChem CID170070494
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine
SMILESFC1=CC(F)=C(CN2CCNCC2)CC1
InChIInChI=1S/C11H16F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h7,14H,1-6,8H2
InChIKeyORKUZHUGGLTNHD-UHFFFAOYSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine?
The IUPAC name of 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine (CID 170070494) is 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine.
What is the SMILES notation for 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine?
The canonical SMILES for 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine is FC1=CC(F)=C(CN2CCNCC2)CC1.
What is the InChIKey of 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine?
The InChIKey is ORKUZHUGGLTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h7,14H,1-6,8H2.
What are the key properties of 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine?
1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine has a molecular weight of 214.26 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorocyclohexa-1,3-dien-1-yl)methyl]piperazine is sourced from PubChem (CID 170070494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).