1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol

C12H26N2O2 — CID 81097296

IUPAC1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol
SMILESCCOC(CN)CCN1CCC(C)(O)CC1
InChIInChI=1S/C12H26N2O2/c1-3-16-11(10-13)4-7-14-8-5-12(2,15)6-9-14/h11,15H,3-10,13H2,1-2H3
InChIKeyLNBMGYHFRPTUNP-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.59
Rot. Bonds6

About 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol

1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol (PubChem CID 81097296) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol
PubChem CID81097296
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol
SMILESCCOC(CN)CCN1CCC(C)(O)CC1
InChIInChI=1S/C12H26N2O2/c1-3-16-11(10-13)4-7-14-8-5-12(2,15)6-9-14/h11,15H,3-10,13H2,1-2H3
InChIKeyLNBMGYHFRPTUNP-UHFFFAOYSA-N
XLogP0.59
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol (CID 81097296) is 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol is CCOC(CN)CCN1CCC(C)(O)CC1.
What is the InChIKey of 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol?
The InChIKey is LNBMGYHFRPTUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-16-11(10-13)4-7-14-8-5-12(2,15)6-9-14/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol?
1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol has a molecular weight of 230.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethoxybutyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81097296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).