[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine

C13H25F2N3 — CID 115048851

IUPAC[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
SMILESCN1CCC(N2CCC(CN)(C(F)F)CC2)CC1
InChIInChI=1S/C13H25F2N3/c1-17-6-2-11(3-7-17)18-8-4-13(10-16,5-9-18)12(14)15/h11-12H,2-10,16H2,1H3
InChIKeySIGAFBJFBMOMLZ-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.39
Rot. Bonds3

About [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine

[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 115048851) has the molecular formula C13H25F2N3 and a molecular weight of 261.36 g/mol. Its IUPAC name is [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
PubChem CID115048851
Molecular FormulaC13H25F2N3
Molecular Weight261.36 g/mol
Exact Mass261.20
IUPAC Name[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine
SMILESCN1CCC(N2CCC(CN)(C(F)F)CC2)CC1
InChIInChI=1S/C13H25F2N3/c1-17-6-2-11(3-7-17)18-8-4-13(10-16,5-9-18)12(14)15/h11-12H,2-10,16H2,1H3
InChIKeySIGAFBJFBMOMLZ-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 115029305
(1-methyl-4-propan-2-ylpiperidin-4-yl)methanamine
CID 82598285
[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine;hydrochloride
CID 171394437
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
[4-(difluoromethyl)-1-methylpiperidin-4-yl]methanol
CID 84767868
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
8-methyl-2-(1-methylpiperidin-4-yl)-2,8-diazaspiro[4.5]decane
CID 155218569
[1-(1-methylazepan-4-yl)piperidin-4-yl]methanamine
CID 65075116
[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine
CID 115017152
ethane;1-methyl-4-piperidin-1-ylpiperidine;propane
CID 143818996
[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 43373551
1-cycloheptyl-4-(difluoromethyl)piperidin-4-amine
CID 115045866

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine (CID 115048851) is [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine is CN1CCC(N2CCC(CN)(C(F)F)CC2)CC1.
What is the InChIKey of [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is SIGAFBJFBMOMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2N3/c1-17-6-2-11(3-7-17)18-8-4-13(10-16,5-9-18)12(14)15/h11-12H,2-10,16H2,1H3.
What are the key properties of [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine?
[4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 261.36 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115048851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).