3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol

C15H24N2O2 — CID 112621904

IUPAC3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
SMILESCOC1CCN(C(C)c2cccc(O)c2)C(CN)C1
InChIInChI=1S/C15H24N2O2/c1-11(12-4-3-5-14(18)8-12)17-7-6-15(19-2)9-13(17)10-16/h3-5,8,11,13,15,18H,6-7,9-10,16H2,1-2H3
InChIKeyGBQSYENWHXTGDB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.89
Rot. Bonds4

About 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol

3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol (PubChem CID 112621904) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol.

Molecular Properties

Compound Name3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
PubChem CID112621904
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
SMILESCOC1CCN(C(C)c2cccc(O)c2)C(CN)C1
InChIInChI=1S/C15H24N2O2/c1-11(12-4-3-5-14(18)8-12)17-7-6-15(19-2)9-13(17)10-16/h3-5,8,11,13,15,18H,6-7,9-10,16H2,1-2H3
InChIKeyGBQSYENWHXTGDB-UHFFFAOYSA-N
XLogP1.89
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
CID 115963202
3-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 115311592
[4-methoxy-1-[1-(2-nitrophenyl)ethyl]piperidin-2-yl]methanamine
CID 115963082
2-[1-[1-(3-hydroxyphenyl)ethyl]pyrrolidin-2-yl]acetic acid
CID 65068061
[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440458
[1-[1-(2-fluorophenyl)propan-2-yl]-4-methoxypiperidin-2-yl]methanamine
CID 114832487
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659
[4-methoxy-1-(1-methoxybutan-2-yl)piperidin-2-yl]methanamine
CID 112622134
1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 120613580
3-[1-(3-aminopyrrolidin-1-yl)ethyl]phenol
CID 62068559
ethyl 2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pentanoate
CID 112622706
4-[1-[2-(aminomethyl)pyrrolidin-1-yl]ethyl]-2-methoxyphenol
CID 113284221

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol?
The IUPAC name of 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol (CID 112621904) is 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol.
What is the SMILES notation for 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol?
The canonical SMILES for 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol is COC1CCN(C(C)c2cccc(O)c2)C(CN)C1.
What is the InChIKey of 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol?
The InChIKey is GBQSYENWHXTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-11(12-4-3-5-14(18)8-12)17-7-6-15(19-2)9-13(17)10-16/h3-5,8,11,13,15,18H,6-7,9-10,16H2,1-2H3.
What are the key properties of 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol?
3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol has a molecular weight of 264.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol is sourced from PubChem (CID 112621904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).