2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol

C14H22N2O2 — CID 107227048

IUPAC2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol
SMILESCOc1ccc(N)c(N2CCCC(CCO)C2)c1
InChIInChI=1S/C14H22N2O2/c1-18-12-4-5-13(15)14(9-12)16-7-2-3-11(10-16)6-8-17/h4-5,9,11,17H,2-3,6-8,10,15H2,1H3
InChIKeyFNCQPXNUVLDCEZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds4

About 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol

2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol (PubChem CID 107227048) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol
PubChem CID107227048
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol
SMILESCOc1ccc(N)c(N2CCCC(CCO)C2)c1
InChIInChI=1S/C14H22N2O2/c1-18-12-4-5-13(15)14(9-12)16-7-2-3-11(10-16)6-8-17/h4-5,9,11,17H,2-3,6-8,10,15H2,1H3
InChIKeyFNCQPXNUVLDCEZ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol (CID 107227048) is 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol is COc1ccc(N)c(N2CCCC(CCO)C2)c1.
What is the InChIKey of 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol?
The InChIKey is FNCQPXNUVLDCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-18-12-4-5-13(15)14(9-12)16-7-2-3-11(10-16)6-8-17/h4-5,9,11,17H,2-3,6-8,10,15H2,1H3.
What are the key properties of 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol?
2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol has a molecular weight of 250.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-methoxyphenyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 107227048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).