4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol

C17H36N2O — CID 64790896

IUPAC4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCC1(CC)CCN(CCC(C)(CO)NC(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-6-17(7-2)9-12-19(13-10-17)11-8-16(5,14-20)18-15(3)4/h15,18,20H,6-14H2,1-5H3
InChIKeyAQUUNIJAJULHHY-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.03
Rot. Bonds8

About 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol

4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol (PubChem CID 64790896) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol.

Molecular Properties

Compound Name4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
PubChem CID64790896
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol
SMILESCCC1(CC)CCN(CCC(C)(CO)NC(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-6-17(7-2)9-12-19(13-10-17)11-8-16(5,14-20)18-15(3)4/h15,18,20H,6-14H2,1-5H3
InChIKeyAQUUNIJAJULHHY-UHFFFAOYSA-N
XLogP3.03
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The IUPAC name of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol (CID 64790896) is 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol.
What is the SMILES notation for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The canonical SMILES for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol is CCC1(CC)CCN(CCC(C)(CO)NC(C)C)CC1.
What is the InChIKey of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
The InChIKey is AQUUNIJAJULHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-6-17(7-2)9-12-19(13-10-17)11-8-16(5,14-20)18-15(3)4/h15,18,20H,6-14H2,1-5H3.
What are the key properties of 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol?
4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol has a molecular weight of 284.49 g/mol, XLogP of 3.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-diethylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butan-1-ol is sourced from PubChem (CID 64790896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).