N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride

C19H24Cl4N2O — CID 18533782

IUPACN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
SMILESCOc1ccc(Cl)cc1CNC1CCCNC1c1cccc(Cl)c1.Cl.Cl
InChIInChI=1S/C19H22Cl2N2O.2ClH/c1-24-18-8-7-16(21)11-14(18)12-23-17-6-3-9-22-19(17)13-4-2-5-15(20)10-13;;/h2,4-5,7-8,10-11,17,19,22-23H,3,6,9,12H2,1H3;2*1H
InChIKeyLXKZMORUZBLOFG-UHFFFAOYSA-N
MW438.23 g/mol
LogP5.43
Rot. Bonds5

About N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride

N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride (PubChem CID 18533782) has the molecular formula C19H24Cl4N2O and a molecular weight of 438.23 g/mol. Its IUPAC name is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
PubChem CID18533782
Molecular FormulaC19H24Cl4N2O
Molecular Weight438.23 g/mol
Exact Mass436.06
IUPAC NameN-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride
SMILESCOc1ccc(Cl)cc1CNC1CCCNC1c1cccc(Cl)c1.Cl.Cl
InChIInChI=1S/C19H22Cl2N2O.2ClH/c1-24-18-8-7-16(21)11-14(18)12-23-17-6-3-9-22-19(17)13-4-2-5-15(20)10-13;;/h2,4-5,7-8,10-11,17,19,22-23H,3,6,9,12H2,1H3;2*1H
InChIKeyLXKZMORUZBLOFG-UHFFFAOYSA-N
XLogP5.43
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.23
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-[(2-methoxy-5-phenylphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67618693
(2S,3S)-N-[(2-methoxy-5-phenoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 70200380
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 67291547
(2R,3R)-N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine;hydrate;dihydrochloride
CID 71311950
(2R,3R)-2-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]piperidin-3-amine
CID 54152550
N-[(2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 18435769
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine;hydrochloride
CID 67677445
(2S,3S)-N-[[5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 86758791
(2S,3S)-N-[(2-methoxy-5-methylsulfinylphenyl)methyl]-2-phenylpiperidin-3-amine
CID 70197176
(2R,3R)-N-[[2-methoxy-5-(trifluoromethoxy)phenyl]methyl]-2-phenylpiperidin-3-amine
CID 15228060
N-[(5-chloro-3-fluoro-2-methoxyphenyl)methyl]-2-phenylpiperidin-3-amine
CID 21477704
N-[[2,4-dimethoxy-5-(2,2,2-trifluoroethyl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
CID 18677585

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride?
The IUPAC name of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride (CID 18533782) is N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride.
What is the SMILES notation for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride?
The canonical SMILES for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride is COc1ccc(Cl)cc1CNC1CCCNC1c1cccc(Cl)c1.Cl.Cl.
What is the InChIKey of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride?
The InChIKey is LXKZMORUZBLOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O.2ClH/c1-24-18-8-7-16(21)11-14(18)12-23-17-6-3-9-22-19(17)13-4-2-5-15(20)10-13;;/h2,4-5,7-8,10-11,17,19,22-23H,3,6,9,12H2,1H3;2*1H.
What are the key properties of N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride?
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride has a molecular weight of 438.23 g/mol, XLogP of 5.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-methoxyphenyl)methyl]-2-(3-chlorophenyl)piperidin-3-amine;dihydrochloride is sourced from PubChem (CID 18533782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).