1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride

C15H23ClF2N2O — CID 119919002

IUPAC1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(C(C)c2ccc(OC(F)F)cc2)C1.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-11(19-9-3-4-13(10-19)18-2)12-5-7-14(8-6-12)20-15(16)17;/h5-8,11,13,15,18H,3-4,9-10H2,1-2H3;1H
InChIKeyFMPFKECLQNBWAF-UHFFFAOYSA-N
MW320.81 g/mol
LogP3.45
Rot. Bonds5

About 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride

1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 119919002) has the molecular formula C15H23ClF2N2O and a molecular weight of 320.81 g/mol. Its IUPAC name is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID119919002
Molecular FormulaC15H23ClF2N2O
Molecular Weight320.81 g/mol
Exact Mass320.15
IUPAC Name1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(C(C)c2ccc(OC(F)F)cc2)C1.Cl
InChIInChI=1S/C15H22F2N2O.ClH/c1-11(19-9-3-4-13(10-19)18-2)12-5-7-14(8-6-12)20-15(16)17;/h5-8,11,13,15,18H,3-4,9-10H2,1-2H3;1H
InChIKeyFMPFKECLQNBWAF-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-3-ol
CID 47704692
1-[1-(4-tert-butylphenyl)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905772
[1-[1-[4-(difluoromethoxy)phenyl]ethyl]piperidin-4-yl]methanol
CID 47524579
N-[(3S)-1-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]piperidin-3-yl]methanesulfonamide
CID 52534042
N-[[4-(difluoromethoxy)phenyl]methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918578
3-[4-(difluoromethoxy)phenyl]-1-[3-(methylamino)piperidin-1-yl]propan-1-one
CID 119491882
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
N-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidin-3-amine
CID 115299929
1-[1-(3,4-dimethoxyphenyl)ethyl]-N-methylpyrrolidin-3-amine
CID 115299885
N-methyl-1-[1-(3-methylthiophen-2-yl)ethyl]piperidin-3-amine
CID 63992505
2-[4-[1-[4-(difluoromethoxy)phenyl]ethyl]piperazin-1-yl]ethanol
CID 47520543
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride (CID 119919002) is 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(C(C)c2ccc(OC(F)F)cc2)C1.Cl.
What is the InChIKey of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is FMPFKECLQNBWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O.ClH/c1-11(19-9-3-4-13(10-19)18-2)12-5-7-14(8-6-12)20-15(16)17;/h5-8,11,13,15,18H,3-4,9-10H2,1-2H3;1H.
What are the key properties of 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 320.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(difluoromethoxy)phenyl]ethyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119919002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).