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

C16H26N2O2 — CID 102956038

IUPAC1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
SMILESCOc1cccc(C(C(C)N)N2CCC(C)C(O)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-8-18(10-15(11)19)16(12(2)17)13-5-4-6-14(9-13)20-3/h4-6,9,11-12,15-16,19H,7-8,10,17H2,1-3H3
InChIKeyGELJIUZOQOHDCC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.79
Rot. Bonds4

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

1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol (PubChem CID 102956038) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
PubChem CID102956038
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
SMILESCOc1cccc(C(C(C)N)N2CCC(C)C(O)C2)c1
InChIInChI=1S/C16H26N2O2/c1-11-7-8-18(10-15(11)19)16(12(2)17)13-5-4-6-14(9-13)20-3/h4-6,9,11-12,15-16,19H,7-8,10,17H2,1-3H3
InChIKeyGELJIUZOQOHDCC-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

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Related Compounds

1-[2-amino-1-(2-methoxyphenyl)propyl]-4-methylpiperidin-3-ol
CID 102956086
1-[1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidin-3-yl]ethanol
CID 115964938
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977
1-[2-amino-1-(3-methoxyphenyl)butyl]pyrrolidine-3,4-diol
CID 106667955
2-(4-hydroxypiperidin-1-yl)-2-(3-methoxyphenyl)ethanethioamide
CID 84750141
1-(7,7-dimethyl-1,4-thiazepan-4-yl)-1-(3-methoxyphenyl)propan-2-amine
CID 107453357
4-[2-amino-1-(3-methoxyphenyl)propyl]-1-methylpiperazin-2-one
CID 64680055
1-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55016000
1-(2-amino-1-phenylpropyl)piperidin-3-ol
CID 55017645
1-(3-methoxypyrrolidin-1-yl)-1-phenylpropan-2-amine
CID 103530869
N-[(1S)-1-(3-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 81376076
1-(3,4-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 79188749

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The IUPAC name of 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol (CID 102956038) is 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol is COc1cccc(C(C(C)N)N2CCC(C)C(O)C2)c1.
What is the InChIKey of 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
The InChIKey is GELJIUZOQOHDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-7-8-18(10-15(11)19)16(12(2)17)13-5-4-6-14(9-13)20-3/h4-6,9,11-12,15-16,19H,7-8,10,17H2,1-3H3.
What are the key properties of 1-[2-amino-1-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol?
1-[2-amino-1-(3-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-(3-methoxyphenyl)propyl]-4-methylpiperidin-3-ol is sourced from PubChem (CID 102956038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).