4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid

C16H32N2O2 — CID 63158993

IUPAC4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
SMILESCCC1(C)CCN(CCC(C)(NC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-6-15(4)7-10-18(11-8-15)12-9-16(5,14(19)20)17-13(2)3/h13,17H,6-12H2,1-5H3,(H,19,20)
InChIKeyNRWSGZPBFHKGOC-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.73
Rot. Bonds7

About 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid

4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid (PubChem CID 63158993) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
PubChem CID63158993
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
SMILESCCC1(C)CCN(CCC(C)(NC(C)C)C(=O)O)CC1
InChIInChI=1S/C16H32N2O2/c1-6-15(4)7-10-18(11-8-15)12-9-16(5,14(19)20)17-13(2)3/h13,17H,6-12H2,1-5H3,(H,19,20)
InChIKeyNRWSGZPBFHKGOC-UHFFFAOYSA-N
XLogP2.73
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
The IUPAC name of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid (CID 63158993) is 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid.
What is the SMILES notation for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
The canonical SMILES for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid is CCC1(C)CCN(CCC(C)(NC(C)C)C(=O)O)CC1.
What is the InChIKey of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
The InChIKey is NRWSGZPBFHKGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-6-15(4)7-10-18(11-8-15)12-9-16(5,14(19)20)17-13(2)3/h13,17H,6-12H2,1-5H3,(H,19,20).
What are the key properties of 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid?
4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-4-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid is sourced from PubChem (CID 63158993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).