1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride

C14H20Cl2F2N2O — CID 119920229

IUPAC1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C14H19ClF2N2O.ClH/c1-18-12-3-2-6-19(9-12)8-10-7-11(15)4-5-13(10)20-14(16)17;/h4-5,7,12,14,18H,2-3,6,8-9H2,1H3;1H
InChIKeyUESSZSJUTDLIEU-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.55
Rot. Bonds5

About 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 119920229) has the molecular formula C14H20Cl2F2N2O and a molecular weight of 341.23 g/mol. Its IUPAC name is 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID119920229
Molecular FormulaC14H20Cl2F2N2O
Molecular Weight341.23 g/mol
Exact Mass340.09
IUPAC Name1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl
InChIInChI=1S/C14H19ClF2N2O.ClH/c1-18-12-3-2-6-19(9-12)8-10-7-11(15)4-5-13(10)20-14(16)17;/h4-5,7,12,14,18H,2-3,6,8-9H2,1H3;1H
InChIKeyUESSZSJUTDLIEU-UHFFFAOYSA-N
XLogP3.55
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119914801
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 60670160
(9aS)-2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839827
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
[5-chloro-2-(difluoromethoxy)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488965
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
1-[(2-chlorothiophen-3-yl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 120837875
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,4-diazepane
CID 43162436
5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24736877
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
CID 177027739
2-[4-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 60669791
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 119920229) is 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2cc(Cl)ccc2OC(F)F)C1.Cl.
What is the InChIKey of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is UESSZSJUTDLIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClF2N2O.ClH/c1-18-12-3-2-6-19(9-12)8-10-7-11(15)4-5-13(10)20-14(16)17;/h4-5,7,12,14,18H,2-3,6,8-9H2,1H3;1H.
What are the key properties of 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 341.23 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119920229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).