N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride

C12H24Cl2F2N2 — CID 162340561

IUPACN-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride
SMILESCN(C1CCNCC1)C1CCC(F)(F)CC1.Cl.Cl
InChIInChI=1S/C12H22F2N2.2ClH/c1-16(11-4-8-15-9-5-11)10-2-6-12(13,14)7-3-10;;/h10-11,15H,2-9H2,1H3;2*1H
InChIKeyWJTHXZHACRARNU-UHFFFAOYSA-N
MW305.24 g/mol
LogP3.09
Rot. Bonds2

About N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride

N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride (PubChem CID 162340561) has the molecular formula C12H24Cl2F2N2 and a molecular weight of 305.24 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride
PubChem CID162340561
Molecular FormulaC12H24Cl2F2N2
Molecular Weight305.24 g/mol
Exact Mass304.13
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride
SMILESCN(C1CCNCC1)C1CCC(F)(F)CC1.Cl.Cl
InChIInChI=1S/C12H22F2N2.2ClH/c1-16(11-4-8-15-9-5-11)10-2-6-12(13,14)7-3-10;;/h10-11,15H,2-9H2,1H3;2*1H
InChIKeyWJTHXZHACRARNU-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;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

4,4-Difluoro-1-(piperidin-4-yl)piperidine
CID 53418774
1-(2,2-Difluoroethyl)piperidin-4-amine dihydrochloride
CID 75480778
1-(4,4-Difluorocyclohexyl)piperazine
CID 130949503
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43607421
N-(2,2-difluoroethyl)-1-methylpiperidin-4-amine
CID 50896642
N-(2,2-difluoroethyl)-N-methylpiperidin-4-amine dihydrochloride
CID 54595919
N-methyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine hydrochloride
CID 71758336
1-Ethyl-3,3-difluoropiperidin-4-amine dihydrochloride
CID 137951734
N-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine dihydrochloride
CID 138991053
rac-(3R,4S)-3-fluoro-N,N-dimethylpiperidin-4-amine dihydrochloride
CID 154729367
3,3-difluoro-N,N-dimethylpiperidin-4-amine dihydrochloride
CID 154730494
rac-(2R,4S)-2-(trifluoromethyl)piperidin-4-amine dihydrochloride
CID 165868655

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride (CID 162340561) is N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride is CN(C1CCNCC1)C1CCC(F)(F)CC1.Cl.Cl.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride?
The InChIKey is WJTHXZHACRARNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2.2ClH/c1-16(11-4-8-15-9-5-11)10-2-6-12(13,14)7-3-10;;/h10-11,15H,2-9H2,1H3;2*1H.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride?
N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride has a molecular weight of 305.24 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methylpiperidin-4-amine;dihydrochloride is sourced from PubChem (CID 162340561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).