1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

C11H23ClF2N2O — CID 120966176

IUPAC1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CCOCC(F)F)CC1.Cl
InChIInChI=1S/C11H22F2N2O.ClH/c1-14-8-10-2-4-15(5-3-10)6-7-16-9-11(12)13;/h10-11,14H,2-9H2,1H3;1H
InChIKeyWEMQYYMIYSFHJK-UHFFFAOYSA-N
MW272.77 g/mol
LogP1.62
Rot. Bonds7

About 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride

1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (PubChem CID 120966176) has the molecular formula C11H23ClF2N2O and a molecular weight of 272.77 g/mol. Its IUPAC name is 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
PubChem CID120966176
Molecular FormulaC11H23ClF2N2O
Molecular Weight272.77 g/mol
Exact Mass272.15
IUPAC Name1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
SMILESCNCC1CCN(CCOCC(F)F)CC1.Cl
InChIInChI=1S/C11H22F2N2O.ClH/c1-14-8-10-2-4-15(5-3-10)6-7-16-9-11(12)13;/h10-11,14H,2-9H2,1H3;1H
InChIKeyWEMQYYMIYSFHJK-UHFFFAOYSA-N
XLogP1.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.77
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966696
N-methyl-1-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922398
N-methyl-1-[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanamine;dihydrochloride
CID 119922597
N-methyl-1-[1-(2-propan-2-yloxyethyl)pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922056
N-[[1-[2-(2-methylpropoxy)ethyl]piperidin-4-yl]methyl]cyclopropanamine
CID 106453510
1-[1-(3,3-dimethylbutyl)piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120838867
1-methoxy-3-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-2-ol
CID 63929272
1-[1-(3-ethylsulfanylpropyl)piperidin-4-yl]-N-methylmethanamine
CID 115741392
N-[2-(2,2-difluoroethoxy)ethyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106091913
1-[1-(aminomethyl)piperidin-4-yl]-N-methylmethanamine
CID 146320414
1-[1-[2-(3-bromo-5-fluorophenoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966166
N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine
CID 114128506

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride (CID 120966176) is 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is CNCC1CCN(CCOCC(F)F)CC1.Cl.
What is the InChIKey of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
The InChIKey is WEMQYYMIYSFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2N2O.ClH/c1-14-8-10-2-4-15(5-3-10)6-7-16-9-11(12)13;/h10-11,14H,2-9H2,1H3;1H.
What are the key properties of 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride?
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride has a molecular weight of 272.77 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 120966176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).