2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine

C11H23F2N3 — CID 143933221

IUPAC2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine
SMILESCNCCC(C)(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H23F2N3/c1-10(9-14,3-6-15-2)16-7-4-11(12,13)5-8-16/h15H,3-9,14H2,1-2H3
InChIKeyIIRPCLVNKUANQY-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.04
Rot. Bonds5

About 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine

2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine (PubChem CID 143933221) has the molecular formula C11H23F2N3 and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine
PubChem CID143933221
Molecular FormulaC11H23F2N3
Molecular Weight235.32 g/mol
Exact Mass235.19
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine
SMILESCNCCC(C)(CN)N1CCC(F)(F)CC1
InChIInChI=1S/C11H23F2N3/c1-10(9-14,3-6-15-2)16-7-4-11(12,13)5-8-16/h15H,3-9,14H2,1-2H3
InChIKeyIIRPCLVNKUANQY-UHFFFAOYSA-N
XLogP1.04
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-Dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 64833235
N,N,3-trimethylpiperidin-3-amine
CID 117000006
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
2,2-Dimethyl-1-(2,2,2-trifluoroethyl)piperazine
CID 54595820
1-Ethyl-4-(trifluoromethyl)piperidin-4-amine dihydrochloride
CID 119057017
9,9-Difluoro-4-methyl-1,4-diazaspiro[5.5]undecane
CID 177801745
3-(Difluoromethyl)piperidin-3-amine
CID 17893696
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2-methylpropan-2-amine
CID 21030134
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]propan-2-amine
CID 23518732
1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 24710241
N-ethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43315253
N-chloro-4-(4,4-difluoro-1-methylpiperidin-1-ium-1-yl)-2-methylbutan-2-amine;chloride
CID 49785057

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine (CID 143933221) is 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine is CNCCC(C)(CN)N1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine?
The InChIKey is IIRPCLVNKUANQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2N3/c1-10(9-14,3-6-15-2)16-7-4-11(12,13)5-8-16/h15H,3-9,14H2,1-2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine?
2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine has a molecular weight of 235.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine is sourced from PubChem (CID 143933221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).