N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride

C8H18Cl2F2N2 — CID 54595919

IUPACN-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride
SMILESCN(CC(F)F)C1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16F2N2.2ClH/c1-12(6-8(9)10)7-2-4-11-5-3-7;;/h7-8,11H,2-6H2,1H3;2*1H
InChIKeyWFJPXQVDMDUNPX-UHFFFAOYSA-N
MW251.15 g/mol
LogP1.78
Rot. Bonds3

About N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride

N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride (PubChem CID 54595919) has the molecular formula C8H18Cl2F2N2 and a molecular weight of 251.15 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride
PubChem CID54595919
Molecular FormulaC8H18Cl2F2N2
Molecular Weight251.15 g/mol
Exact Mass250.08
IUPAC NameN-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride
SMILESCN(CC(F)F)C1CCNCC1.Cl.Cl
InChIInChI=1S/C8H16F2N2.2ClH/c1-12(6-8(9)10)7-2-4-11-5-3-7;;/h7-8,11H,2-6H2,1H3;2*1H
InChIKeyWFJPXQVDMDUNPX-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.15
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride (CID 54595919) is N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride is CN(CC(F)F)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is WFJPXQVDMDUNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2.2ClH/c1-12(6-8(9)10)7-2-4-11-5-3-7;;/h7-8,11H,2-6H2,1H3;2*1H.
What are the key properties of N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride?
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 251.15 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 54595919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).