N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride

C20H23ClF4N2O2 — CID 67641950

IUPACN-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride
SMILESCl.FC(F)Oc1ccc(OC(F)F)c(CNN2CCCCC2c2ccccc2)c1
InChIInChI=1S/C20H22F4N2O2.ClH/c21-19(22)27-16-9-10-18(28-20(23)24)15(12-16)13-25-26-11-5-4-8-17(26)14-6-2-1-3-7-14;/h1-3,6-7,9-10,12,17,19-20,25H,4-5,8,11,13H2;1H
InChIKeyWVDNWMGVCSMORF-UHFFFAOYSA-N
MW434.86 g/mol
LogP5.54
Rot. Bonds8

About N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride

N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride (PubChem CID 67641950) has the molecular formula C20H23ClF4N2O2 and a molecular weight of 434.86 g/mol. Its IUPAC name is N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride
PubChem CID67641950
Molecular FormulaC20H23ClF4N2O2
Molecular Weight434.86 g/mol
Exact Mass434.14
IUPAC NameN-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride
SMILESCl.FC(F)Oc1ccc(OC(F)F)c(CNN2CCCCC2c2ccccc2)c1
InChIInChI=1S/C20H22F4N2O2.ClH/c21-19(22)27-16-9-10-18(28-20(23)24)15(12-16)13-25-26-11-5-4-8-17(26)14-6-2-1-3-7-14;/h1-3,6-7,9-10,12,17,19-20,25H,4-5,8,11,13H2;1H
InChIKeyWVDNWMGVCSMORF-UHFFFAOYSA-N
XLogP5.54
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.86
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-[[(2-phenylpiperidin-1-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide;dihydrochloride
CID 67667325
N-methylsulfonyl-N-[3-[[(2-phenylpiperidin-1-yl)amino]methyl]-4-(trifluoromethoxy)phenyl]methanesulfonamide
CID 67668828
N-[[2-methoxy-5-(1,3-thiazol-2-yl)phenyl]methyl]-2-phenylpiperidin-1-amine
CID 67654746
methyl 4-[4-methoxy-3-[[(2-phenylpiperidin-1-yl)amino]methyl]phenyl]-4-methylpent-2-ynoate
CID 67660167
N-[[2-(difluoromethoxy)phenyl]methyl]-2-phenylpyrrolidine-1-carboxamide
CID 87003187
N-[[2-(difluoromethoxy)phenyl]methyl]piperidin-1-amine
CID 83007673
1-[[2-(difluoromethoxy)-5-methoxyphenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122006056
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509745
(2S,4S)-N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120638174
[4-(difluoromethoxy)-3-methoxyphenyl]-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 31796792
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
(3S,4R)-1-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]-4-phenylpyrrolidin-3-amine
CID 120770236

Frequently Asked Questions

What is the IUPAC name of N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride?
The IUPAC name of N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride (CID 67641950) is N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride.
What is the SMILES notation for N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride?
The canonical SMILES for N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride is Cl.FC(F)Oc1ccc(OC(F)F)c(CNN2CCCCC2c2ccccc2)c1.
What is the InChIKey of N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride?
The InChIKey is WVDNWMGVCSMORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N2O2.ClH/c21-19(22)27-16-9-10-18(28-20(23)24)15(12-16)13-25-26-11-5-4-8-17(26)14-6-2-1-3-7-14;/h1-3,6-7,9-10,12,17,19-20,25H,4-5,8,11,13H2;1H.
What are the key properties of N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride?
N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride has a molecular weight of 434.86 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,5-bis(difluoromethoxy)phenyl]methyl]-2-phenylpiperidin-1-amine;hydrochloride is sourced from PubChem (CID 67641950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).