[4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine

C12H23F2N3 — CID 91387931

IUPAC[4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H23F2N3/c1-16-6-2-11(10-15,3-7-16)17-8-4-12(13,14)5-9-17/h2-10,15H2,1H3
InChIKeyVZLLFJLEFSUIIM-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.14
Rot. Bonds2

About [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine

[4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine (PubChem CID 91387931) has the molecular formula C12H23F2N3 and a molecular weight of 247.33 g/mol. Its IUPAC name is [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
PubChem CID91387931
Molecular FormulaC12H23F2N3
Molecular Weight247.33 g/mol
Exact Mass247.19
IUPAC Name[4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine
SMILESCN1CCC(CN)(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C12H23F2N3/c1-16-6-2-11(10-15,3-7-16)17-8-4-12(13,14)5-9-17/h2-10,15H2,1H3
InChIKeyVZLLFJLEFSUIIM-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1'-Methyl-(1,4'-bipiperidin)-4'-yl)methanamine
CID 7219944
1-Piperidin-3-yl-4-(trifluoromethyl)piperidine
CID 65538181
1-[(4-Fluoropiperidin-4-yl)methyl]-4-methylpiperazine
CID 84681274
1-(Piperidin-4-ylmethyl)-2-(trifluoromethyl)piperazine
CID 115101266
N,4-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 115305132
2-(3,3-Difluoropiperidin-1-yl)-2-methylpropan-1-amine
CID 118185604
4-[[2,2-Difluoroethyl(methyl)amino]methyl]-1-methylpiperidin-4-amine
CID 134435052
2-(4,4-difluoropiperidin-1-yl)-N',2-dimethylbutane-1,4-diamine
CID 143933221
Ethane;1-methyl-4-(trifluoromethyl)piperidin-4-amine
CID 153567596
2-(Difluoromethyl)-4-(2-piperidin-4-ylethyl)-1-propylpiperazine
CID 154671252
1-Ethyl-4-[2-(1-ethyl-3,3-difluoropiperidin-4-yl)ethyl]piperazine
CID 154672255
1-Tert-butyl-4-(trifluoromethyl)piperidin-4-amine
CID 162493358

Frequently Asked Questions

What is the IUPAC name of [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine?
The IUPAC name of [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine (CID 91387931) is [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine is CN1CCC(CN)(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine?
The InChIKey is VZLLFJLEFSUIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2N3/c1-16-6-2-11(10-15,3-7-16)17-8-4-12(13,14)5-9-17/h2-10,15H2,1H3.
What are the key properties of [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine?
[4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine has a molecular weight of 247.33 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4,4-difluoropiperidin-1-yl)-1-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 91387931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).