4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol

C13H28N2O2 — CID 64825671

IUPAC4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCCOC1CCN(CCC(C)(CO)NC)CC1
InChIInChI=1S/C13H28N2O2/c1-4-17-12-5-8-15(9-6-12)10-7-13(2,11-16)14-3/h12,14,16H,4-11H2,1-3H3
InChIKeyNUXQXVNPXMYWRB-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.85
Rot. Bonds7

About 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol

4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol (PubChem CID 64825671) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
PubChem CID64825671
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
SMILESCCOC1CCN(CCC(C)(CO)NC)CC1
InChIInChI=1S/C13H28N2O2/c1-4-17-12-5-8-15(9-6-12)10-7-13(2,11-16)14-3/h12,14,16H,4-11H2,1-3H3
InChIKeyNUXQXVNPXMYWRB-UHFFFAOYSA-N
XLogP0.85
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(methylamino)-4-(4-propylpiperazin-1-yl)butan-1-ol
CID 64798619
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64827462
4-(azepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64796292
2-methyl-2-(methylamino)-4-(3-propoxypiperidin-1-yl)butan-1-ol
CID 64827408
2-methyl-2-(methylamino)-5-(4-propylpiperidin-1-yl)pentan-1-ol
CID 64786842
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
2-cyclopropyl-3-(4-ethoxypiperidin-1-yl)-2-(methylamino)propan-1-ol
CID 64827067
4-(4,4-dimethylazepan-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 65286303
2-(ethylamino)-4-(3-methoxypyrrolidin-1-yl)-2-methylbutan-1-ol
CID 103540741
5-(4-ethoxypiperidin-1-yl)-2-ethyl-2-(propylamino)pentan-1-ol
CID 106809351
6-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-(methylamino)hexan-1-ol
CID 64797277
4-(3,4-dimethylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64791015

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The IUPAC name of 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol (CID 64825671) is 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol.
What is the SMILES notation for 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The canonical SMILES for 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol is CCOC1CCN(CCC(C)(CO)NC)CC1.
What is the InChIKey of 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
The InChIKey is NUXQXVNPXMYWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-17-12-5-8-15(9-6-12)10-7-13(2,11-16)14-3/h12,14,16H,4-11H2,1-3H3.
What are the key properties of 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol?
4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol has a molecular weight of 244.38 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypiperidin-1-yl)-2-methyl-2-(methylamino)butan-1-ol is sourced from PubChem (CID 64825671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).