[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride

C8H18Cl2F2N2 — CID 119031603

IUPAC[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2.2ClH/c9-8(10)6-12-3-1-7(5-11)2-4-12;;/h7-8H,1-6,11H2;2*1H
InChIKeyWJKYIFPIYVLBSM-UHFFFAOYSA-N
MW251.15 g/mol
LogP1.77
Rot. Bonds3

About [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride

[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride (PubChem CID 119031603) has the molecular formula C8H18Cl2F2N2 and a molecular weight of 251.15 g/mol. Its IUPAC name is [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
PubChem CID119031603
Molecular FormulaC8H18Cl2F2N2
Molecular Weight251.15 g/mol
Exact Mass250.08
IUPAC Name[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCC1CCN(CC(F)F)CC1
InChIInChI=1S/C8H16F2N2.2ClH/c9-8(10)6-12-3-1-7(5-11)2-4-12;;/h7-8H,1-6,11H2;2*1H
InChIKeyWJKYIFPIYVLBSM-UHFFFAOYSA-N
XLogP1.77
TPSA29.26 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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(2,2-difluoroethyl)azepan-3-yl]methanamine
CID 84664091
1-(2,2-difluoroethyl)-4-propylpiperidine
CID 89323946
(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-amine
CID 79005005
[1-(cyclopropylmethyl)piperidin-4-yl]methanamine;hydrochloride
CID 163375972
4-(azetidin-3-ylmethyl)-1-(2,2-difluoroethyl)piperidine
CID 126573560
2-[[4-(aminomethyl)piperidin-1-yl]methyl]-3,3,3-trifluoropropanenitrile
CID 103371723
[1-(2,3,3,3-tetrafluoropropyl)pyrrolidin-3-yl]methanamine
CID 115028625
1-(2,2-difluoroethyl)-3-ethylpyrrolidine;ethane
CID 169182399
(1-fluoropiperidin-4-yl)methanamine
CID 88998861
1-(2,2-difluoroethyl)-4-pentan-2-ylpiperidine
CID 167291149
[1-(difluoromethylsulfonyl)piperidin-4-yl]methanamine;hydrochloride
CID 54592998
1-(2-fluoropropyl)piperidin-4-amine;hydrochloride
CID 67351391

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride?
The IUPAC name of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride (CID 119031603) is [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride.
What is the SMILES notation for [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride?
The canonical SMILES for [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride is Cl.Cl.NCC1CCN(CC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride?
The InChIKey is WJKYIFPIYVLBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2.2ClH/c9-8(10)6-12-3-1-7(5-11)2-4-12;;/h7-8H,1-6,11H2;2*1H.
What are the key properties of [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride?
[1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride has a molecular weight of 251.15 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethyl)piperidin-4-yl]methanamine;dihydrochloride is sourced from PubChem (CID 119031603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).