1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol

C16H26N2O2 — CID 102956086

IUPAC1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
SMILESCOc1ccccc1C(C(C)N)N1CCC(C)C(O)C1
InChIInChI=1S/C16H26N2O2/c1-11-8-9-18(10-14(11)19)16(12(2)17)13-6-4-5-7-15(13)20-3/h4-7,11-12,14,16,19H,8-10,17H2,1-3H3
InChIKeyIWEUKNRJOXQKLG-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol

1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol (PubChem CID 102956086) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
PubChem CID102956086
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
SMILESCOc1ccccc1C(C(C)N)N1CCC(C)C(O)C1
InChIInChI=1S/C16H26N2O2/c1-11-8-9-18(10-14(11)19)16(12(2)17)13-6-4-5-7-15(13)20-3/h4-7,11-12,14,16,19H,8-10,17H2,1-3H3
InChIKeyIWEUKNRJOXQKLG-UHFFFAOYSA-N
XLogP1.79
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol (CID 102956086) is 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol is COc1ccccc1C(C(C)N)N1CCC(C)C(O)C1.
What is the InChIKey of 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The InChIKey is IWEUKNRJOXQKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-8-9-18(10-14(11)19)16(12(2)17)13-6-4-5-7-15(13)20-3/h4-7,11-12,14,16,19H,8-10,17H2,1-3H3.
What are the key properties of 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol has a molecular weight of 278.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).