3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride

C12H20Cl2N2O — CID 117045727

IUPAC3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
SMILESCN1CCC(Oc2cccc(N)c2)CC1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12;;/h2-4,9,11H,5-8,13H2,1H3;2*1H
InChIKeyCSMZODKAPBBQBF-UHFFFAOYSA-N
MW279.21 g/mol
LogP2.59
Rot. Bonds2

About 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride

3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride (PubChem CID 117045727) has the molecular formula C12H20Cl2N2O and a molecular weight of 279.21 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
PubChem CID117045727
Molecular FormulaC12H20Cl2N2O
Molecular Weight279.21 g/mol
Exact Mass278.10
IUPAC Name3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
SMILESCN1CCC(Oc2cccc(N)c2)CC1.Cl.Cl
InChIInChI=1S/C12H18N2O.2ClH/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12;;/h2-4,9,11H,5-8,13H2,1H3;2*1H
InChIKeyCSMZODKAPBBQBF-UHFFFAOYSA-N
XLogP2.59
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
CID 68965595
3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
3-(1-methylpyrrolidin-3-yl)oxyaniline;1-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyrrolidine
CID 174055193
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
1-[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]ethanamine
CID 117438913
N-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]aniline
CID 166814764
2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117377386
3-[1-(4-bromophenyl)pyrrolidin-3-yl]oxyaniline
CID 84609574
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351
3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117446398
6-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
CID 126695915
4-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]-1-methylpiperidine
CID 82245812

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride?
The IUPAC name of 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride (CID 117045727) is 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride is CN1CCC(Oc2cccc(N)c2)CC1.Cl.Cl.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride?
The InChIKey is CSMZODKAPBBQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O.2ClH/c1-14-7-5-11(6-8-14)15-12-4-2-3-10(13)9-12;;/h2-4,9,11H,5-8,13H2,1H3;2*1H.
What are the key properties of 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride?
3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride has a molecular weight of 279.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride is sourced from PubChem (CID 117045727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).