[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride

C13H21ClN2O — CID 68965595

IUPAC[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
SMILESCN1CCC(Oc2cccc(CN)c2)CC1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-15-7-5-12(6-8-15)16-13-4-2-3-11(9-13)10-14;/h2-4,9,12H,5-8,10,14H2,1H3;1H
InChIKeyWXPFMAQEOZAXFB-UHFFFAOYSA-N
MW256.78 g/mol
LogP2.04
Rot. Bonds3

About [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride

[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride (PubChem CID 68965595) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
PubChem CID68965595
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride
SMILESCN1CCC(Oc2cccc(CN)c2)CC1.Cl
InChIInChI=1S/C13H20N2O.ClH/c1-15-7-5-12(6-8-15)16-13-4-2-3-11(9-13)10-14;/h2-4,9,12H,5-8,10,14H2,1H3;1H
InChIKeyWXPFMAQEOZAXFB-UHFFFAOYSA-N
XLogP2.04
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylpiperidin-4-yl)oxyaniline;dihydrochloride
CID 117045727
[3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]phenyl]methanamine
CID 68709089
3-[3-(2,2-dimethylpropyl)phenoxy]-1-methylpyrrolidine
CID 137435425
[4-(1-methylpyrrolidin-3-yl)oxyphenyl]methanamine
CID 117052585
[1-[3-(1-methylpiperidin-4-yl)oxyphenyl]cyclopropyl]methanamine
CID 117405750
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methanamine;hydrochloride
CID 159598247
1-methyl-4-[3-(piperidin-3-ylmethyl)phenoxy]piperidine
CID 117466208
[4-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]methanamine
CID 62288053
3,3-dimethyl-1-[3-(1-methylpyrrolidin-3-yl)oxyphenyl]butan-2-one;hydrochloride
CID 159432081
3-amino-2-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117446398
2-(3-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155896532

Frequently Asked Questions

What is the IUPAC name of [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride?
The IUPAC name of [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride (CID 68965595) is [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride is CN1CCC(Oc2cccc(CN)c2)CC1.Cl.
What is the InChIKey of [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride?
The InChIKey is WXPFMAQEOZAXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.ClH/c1-15-7-5-12(6-8-15)16-13-4-2-3-11(9-13)10-14;/h2-4,9,12H,5-8,10,14H2,1H3;1H.
What are the key properties of [3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride?
[3-(1-methylpiperidin-4-yl)oxyphenyl]methanamine;hydrochloride has a molecular weight of 256.78 g/mol, XLogP of 2.04, 3 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)oxyphenyl]methanamine;hydrochloride is sourced from PubChem (CID 68965595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).