1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine

C15H23ClN2O — CID 102958940

IUPAC1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCOC1CN(c2ccc(C(C)N)c(Cl)c2)CCC1C
InChIInChI=1S/C15H23ClN2O/c1-10-6-7-18(9-15(10)19-3)12-4-5-13(11(2)17)14(16)8-12/h4-5,8,10-11,15H,6-7,9,17H2,1-3H3
InChIKeySPZGSXJTEUBQMB-UHFFFAOYSA-N
MW282.81 g/mol
LogP3.22
Rot. Bonds3

About 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine

1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine (PubChem CID 102958940) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
PubChem CID102958940
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
SMILESCOC1CN(c2ccc(C(C)N)c(Cl)c2)CCC1C
InChIInChI=1S/C15H23ClN2O/c1-10-6-7-18(9-15(10)19-3)12-4-5-13(11(2)17)14(16)8-12/h4-5,8,10-11,15H,6-7,9,17H2,1-3H3
InChIKeySPZGSXJTEUBQMB-UHFFFAOYSA-N
XLogP3.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-chloro-4-[3-(methoxymethyl)piperidin-1-yl]phenyl]ethanamine
CID 106587278
4-(3-methoxy-4-methylpiperidin-1-yl)-2-propan-2-yloxyaniline
CID 102955586
1-[2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)phenyl]ethanol
CID 103535445
1-[2-chloro-4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)phenyl]ethanamine
CID 81199647
1-[3-chloro-4-[1-(methylamino)ethyl]phenyl]-4-methylpiperidin-3-ol
CID 102958882
(1S)-1-[3-bromo-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102959008
[4-[4-(1-aminoethyl)-3-chlorophenyl]morpholin-2-yl]methanol
CID 81204221
N-ethyl-1-[4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine
CID 102958936
1-[6-(3-methoxy-4-methylpiperidin-1-yl)-3-pyridinyl]ethanamine
CID 102958961
2-(2,4-dichlorophenyl)-2-(3-methoxy-4-methylpiperidin-1-yl)ethanamine
CID 102964850
3-amino-6-(3-methoxy-4-methylpiperidin-1-yl)-1-methyl-3H-indol-2-one
CID 102959004
2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)-5-methylaniline
CID 102955583

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine (CID 102958940) is 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine is COC1CN(c2ccc(C(C)N)c(Cl)c2)CCC1C.
What is the InChIKey of 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
The InChIKey is SPZGSXJTEUBQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-10-6-7-18(9-15(10)19-3)12-4-5-13(11(2)17)14(16)8-12/h4-5,8,10-11,15H,6-7,9,17H2,1-3H3.
What are the key properties of 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine?
1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine has a molecular weight of 282.81 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-(3-methoxy-4-methylpiperidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 102958940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).