[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine

C16H26N2O — CID 65446764

IUPAC[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(CCN2CCC(C)CC2CN)cc1
InChIInChI=1S/C16H26N2O/c1-13-7-9-18(15(11-13)12-17)10-8-14-3-5-16(19-2)6-4-14/h3-6,13,15H,7-12,17H2,1-2H3
InChIKeyWMEROOIVTCRSCV-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.30
Rot. Bonds5

About [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine

[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 65446764) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID65446764
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(CCN2CCC(C)CC2CN)cc1
InChIInChI=1S/C16H26N2O/c1-13-7-9-18(15(11-13)12-17)10-8-14-3-5-16(19-2)6-4-14/h3-6,13,15H,7-12,17H2,1-2H3
InChIKeyWMEROOIVTCRSCV-UHFFFAOYSA-N
XLogP2.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79370835
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]propan-2-ol
CID 114337924
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
(1-butyl-4-methylpiperidin-2-yl)methanamine
CID 63839555
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
[4-methyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methanamine
CID 103441803
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N,N-dimethylethanamine
CID 63840214
hydroxylamine;1-[2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 70097581

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine (CID 65446764) is [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine is COc1ccc(CCN2CCC(C)CC2CN)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is WMEROOIVTCRSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-7-9-18(15(11-13)12-17)10-8-14-3-5-16(19-2)6-4-14/h3-6,13,15H,7-12,17H2,1-2H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine?
[1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 65446764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).