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

C16H26N2O — CID 114959752

IUPAC[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCCOc1ccccc1CN1CCC(C)C(CN)C1
InChIInChI=1S/C16H26N2O/c1-3-19-16-7-5-4-6-14(16)11-18-9-8-13(2)15(10-17)12-18/h4-7,13,15H,3,8-12,17H2,1-2H3
InChIKeyGYENHNDXVLFJOB-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.50
Rot. Bonds5

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

[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (PubChem CID 114959752) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
PubChem CID114959752
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
SMILESCCOc1ccccc1CN1CCC(C)C(CN)C1
InChIInChI=1S/C16H26N2O/c1-3-19-16-7-5-4-6-14(16)11-18-9-8-13(2)15(10-17)12-18/h4-7,13,15H,3,8-12,17H2,1-2H3
InChIKeyGYENHNDXVLFJOB-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]methanamine
CID 54793651
[1-[(4-ethylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114960117
[1-[(2-chloroquinolin-3-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961489
[1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114959871
N-[1-[(2-ethoxyphenyl)methyl]-3-(hydroxymethyl)piperidin-4-yl]acetamide
CID 156602331
(3S)-1-[(2-butoxyphenyl)methyl]pyrrolidin-3-ol
CID 86795938
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
CID 114876398
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
[1-[(2-chloro-4-methylphenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 106865716
[1-[(2-fluoro-3-nitrophenyl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 107350337
(3R)-1-[(2-ethoxyphenyl)methyl]-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129335431
1-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]azepane;hydrochloride
CID 163326473

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine (CID 114959752) is [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is CCOc1ccccc1CN1CCC(C)C(CN)C1.
What is the InChIKey of [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
The InChIKey is GYENHNDXVLFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-16-7-5-4-6-14(16)11-18-9-8-13(2)15(10-17)12-18/h4-7,13,15H,3,8-12,17H2,1-2H3.
What are the key properties of [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine?
[1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine has a molecular weight of 262.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethoxyphenyl)methyl]-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114959752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).