[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride

C13H22Cl2N2O — CID 166607182

IUPAC[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
SMILESCOC1CCN(c2ccc(CN)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-16-13-6-8-15(9-7-13)12-4-2-11(10-14)3-5-12;;/h2-5,13H,6-10,14H2,1H3;2*1H
InChIKeyLCKDHBJGBKHWMX-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.60
Rot. Bonds3

About [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride

[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride (PubChem CID 166607182) has the molecular formula C13H22Cl2N2O and a molecular weight of 293.24 g/mol. Its IUPAC name is [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
PubChem CID166607182
Molecular FormulaC13H22Cl2N2O
Molecular Weight293.24 g/mol
Exact Mass292.11
IUPAC Name[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride
SMILESCOC1CCN(c2ccc(CN)cc2)CC1.Cl.Cl
InChIInChI=1S/C13H20N2O.2ClH/c1-16-13-6-8-15(9-7-13)12-4-2-11(10-14)3-5-12;;/h2-5,13H,6-10,14H2,1H3;2*1H
InChIKeyLCKDHBJGBKHWMX-UHFFFAOYSA-N
XLogP2.60
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

[4-(4-propoxypiperidin-1-yl)phenyl]methanamine
CID 28803528
[4-(aminomethyl)phenyl]-(4-methoxypiperidin-1-yl)methanone;hydrochloride
CID 119275334
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[4-(chloromethyl)phenyl]-3-methoxypyrrolidine
CID 103535515
[4-[4-(4-ethylphenyl)piperazin-1-yl]phenyl]methanamine
CID 71009970
[3-fluoro-4-(3-methoxypyrrolidin-1-yl)phenyl]methanamine
CID 103530728
[4-(3-methylpiperidin-1-yl)phenyl]methanamine;dihydrochloride
CID 75485261
N-[4-(4-methoxypiperidin-1-yl)phenyl]formamide
CID 168651911
1-[4-(2-aminoethyl)phenyl]piperidin-4-ol
CID 83822441
methyl 4-[[1-[4-(aminomethyl)phenyl]piperidine-4-carbonyl]amino]cyclohexane-1-carboxylate
CID 19391688
1-[4-(aminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine;azane;4-[4-(dimethylamino)piperidin-1-yl]benzaldehyde
CID 159113137
[4-methoxy-3-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanamine
CID 62017605

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The IUPAC name of [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride (CID 166607182) is [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride.
What is the SMILES notation for [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The canonical SMILES for [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride is COC1CCN(c2ccc(CN)cc2)CC1.Cl.Cl.
What is the InChIKey of [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride?
The InChIKey is LCKDHBJGBKHWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2ClH/c1-16-13-6-8-15(9-7-13)12-4-2-11(10-14)3-5-12;;/h2-5,13H,6-10,14H2,1H3;2*1H.
What are the key properties of [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride?
[4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride has a molecular weight of 293.24 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypiperidin-1-yl)phenyl]methanamine;dihydrochloride is sourced from PubChem (CID 166607182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).