[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine

C16H26N2O — CID 103440770

IUPAC[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCCOc1cccc(CN2CCC(C)CC2CN)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-6-4-5-14(10-16)12-18-8-7-13(2)9-15(18)11-17/h4-6,10,13,15H,3,7-9,11-12,17H2,1-2H3
InChIKeyVHUXTXHDKIMQKQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.64
Rot. Bonds5

About [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine

[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440770) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440770
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCCOc1cccc(CN2CCC(C)CC2CN)c1
InChIInChI=1S/C16H26N2O/c1-3-19-16-6-4-5-14(10-16)12-18-8-7-13(2)9-15(18)11-17/h4-6,10,13,15H,3,7-9,11-12,17H2,1-2H3
InChIKeyVHUXTXHDKIMQKQ-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
1-[(3-ethoxyphenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106745667
[1-[(2,6-dimethylphenyl)methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440793
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
[3-[2-(2,4-dimethylpiperidin-1-yl)ethoxy]phenyl]methanamine
CID 62331368
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148
3-amino-N-[[1-[(3-ethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911453
[4-methyl-1-(pyridin-2-ylmethyl)piperidin-2-yl]methanamine
CID 103440446
[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
3-[3-[(3-methylpyrrolidin-1-yl)methyl]phenoxy]propan-1-amine
CID 14026189
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 107883161
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936

Frequently Asked Questions

What is the IUPAC name of [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine (CID 103440770) is [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine is CCOc1cccc(CN2CCC(C)CC2CN)c1.
What is the InChIKey of [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is VHUXTXHDKIMQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-6-4-5-14(10-16)12-18-8-7-13(2)9-15(18)11-17/h4-6,10,13,15H,3,7-9,11-12,17H2,1-2H3.
What are the key properties of [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-ethoxyphenyl)methyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).