1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine

C13H24F2N2 — CID 114225345

IUPAC1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
SMILESCCC1CN(CC2CCCC(F)(F)C2)CCN1
InChIInChI=1S/C13H24F2N2/c1-2-12-10-17(7-6-16-12)9-11-4-3-5-13(14,15)8-11/h11-12,16H,2-10H2,1H3
InChIKeyYTHDHMHOJUSUFD-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.50
Rot. Bonds3

About 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine

1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine (PubChem CID 114225345) has the molecular formula C13H24F2N2 and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine.

Molecular Properties

Compound Name1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
PubChem CID114225345
Molecular FormulaC13H24F2N2
Molecular Weight246.34 g/mol
Exact Mass246.19
IUPAC Name1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine
SMILESCCC1CN(CC2CCCC(F)(F)C2)CCN1
InChIInChI=1S/C13H24F2N2/c1-2-12-10-17(7-6-16-12)9-11-4-3-5-13(14,15)8-11/h11-12,16H,2-10H2,1H3
InChIKeyYTHDHMHOJUSUFD-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
3-ethyl-1-[(1-ethylpiperidin-4-yl)methyl]piperazine
CID 64952931
3-ethyl-1-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 64951925
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-[(3,3-difluorocyclohexyl)methyl]-N-ethylpiperidin-3-amine
CID 114223582
1-[(3,3-difluorocyclohexyl)methyl]-4-methylpiperidin-3-amine
CID 114224380
1-(2-bromoethyl)-3-ethylpiperazine
CID 173202340
[1-[(3,3-difluorocyclopentyl)methyl]-3-ethylpiperidin-4-yl]methanamine
CID 114224164
(3R)-1-(cyclobutylmethyl)-3-methylpiperazine
CID 104975501
4-[[(1R)-3,3-difluorocyclopentyl]methyl]piperazin-2-one
CID 129348358
2-[4-[(3,3-difluorocyclohexyl)methyl]morpholin-2-yl]acetic acid
CID 114224344
3-ethyl-1-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1,4-diazepane
CID 102901669

Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine?
The IUPAC name of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine (CID 114225345) is 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine.
What is the SMILES notation for 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine?
The canonical SMILES for 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine is CCC1CN(CC2CCCC(F)(F)C2)CCN1.
What is the InChIKey of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine?
The InChIKey is YTHDHMHOJUSUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2/c1-2-12-10-17(7-6-16-12)9-11-4-3-5-13(14,15)8-11/h11-12,16H,2-10H2,1H3.
What are the key properties of 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine?
1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine has a molecular weight of 246.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluorocyclohexyl)methyl]-3-ethylpiperazine is sourced from PubChem (CID 114225345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).