2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol

C14H22N2O2 — CID 82041916

IUPAC2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
SMILESCOc1cccc(C(CN)N2CCCCC2)c1O
InChIInChI=1S/C14H22N2O2/c1-18-13-7-5-6-11(14(13)17)12(10-15)16-8-3-2-4-9-16/h5-7,12,17H,2-4,8-10,15H2,1H3
InChIKeyIQASWGMTGXLZBY-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.89
Rot. Bonds4

About 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol

2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol (PubChem CID 82041916) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
PubChem CID82041916
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol
SMILESCOc1cccc(C(CN)N2CCCCC2)c1O
InChIInChI=1S/C14H22N2O2/c1-18-13-7-5-6-11(14(13)17)12(10-15)16-8-3-2-4-9-16/h5-7,12,17H,2-4,8-10,15H2,1H3
InChIKeyIQASWGMTGXLZBY-UHFFFAOYSA-N
XLogP1.89
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2-ethoxyphenyl)-2-piperidin-1-ylethanamine
CID 93489676
2-(2,3-dimethoxyphenyl)-2-(4-methyl-1,4-diazepan-1-yl)ethanamine
CID 43209293
2-(2-methoxy-5-methylphenyl)-2-pyrrolidin-1-ylethanamine
CID 82290904
2-methoxy-6-[(1S)-1-piperazin-1-ylpropyl]phenol;dihydrochloride
CID 171281629
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
2-(2-methoxy-4,5-dimethylphenyl)-2-piperidin-1-ylethanamine
CID 82302971
2-(2-chloro-3,4-dimethoxyphenyl)-2-piperidin-1-ylethanamine
CID 63631314
2-(azocan-1-yl)-2-[2-(difluoromethoxy)phenyl]ethanamine
CID 43211843
2-[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-6-methoxyphenol
CID 135757753
ethyl 3-(2-methoxyphenyl)-3-piperidin-1-ylpropanoate
CID 64542045
[1-[2-amino-1-(2-methoxyphenyl)ethyl]piperidin-3-yl]methanol
CID 55022224
2-(azepan-1-yl)-2-naphthalen-1-ylethanamine
CID 43180381

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol?
The IUPAC name of 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol (CID 82041916) is 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol.
What is the SMILES notation for 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol?
The canonical SMILES for 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol is COc1cccc(C(CN)N2CCCCC2)c1O.
What is the InChIKey of 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol?
The InChIKey is IQASWGMTGXLZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-13-7-5-6-11(14(13)17)12(10-15)16-8-3-2-4-9-16/h5-7,12,17H,2-4,8-10,15H2,1H3.
What are the key properties of 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol?
2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol has a molecular weight of 250.34 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 2-(2-amino-1-piperidin-1-ylethyl)-6-methoxyphenol is sourced from PubChem (CID 82041916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).