1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate

C14H28N2O2 — CID 54565134

IUPAC1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate
SMILESCCC(CC1(C)C(C)CCN(C)C1C)OC(N)=O
InChIInChI=1S/C14H28N2O2/c1-6-12(18-13(15)17)9-14(4)10(2)7-8-16(5)11(14)3/h10-12H,6-9H2,1-5H3,(H2,15,17)
InChIKeyZTGYNISZXGSXPO-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.62
Rot. Bonds4

About 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate

1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate (PubChem CID 54565134) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate.

Molecular Properties

Compound Name1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate
PubChem CID54565134
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate
SMILESCCC(CC1(C)C(C)CCN(C)C1C)OC(N)=O
InChIInChI=1S/C14H28N2O2/c1-6-12(18-13(15)17)9-14(4)10(2)7-8-16(5)11(14)3/h10-12H,6-9H2,1-5H3,(H2,15,17)
InChIKeyZTGYNISZXGSXPO-UHFFFAOYSA-N
XLogP2.62
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate?
The IUPAC name of 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate (CID 54565134) is 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate.
What is the SMILES notation for 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate?
The canonical SMILES for 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate is CCC(CC1(C)C(C)CCN(C)C1C)OC(N)=O.
What is the InChIKey of 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate?
The InChIKey is ZTGYNISZXGSXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-12(18-13(15)17)9-14(4)10(2)7-8-16(5)11(14)3/h10-12H,6-9H2,1-5H3,(H2,15,17).
What are the key properties of 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate?
1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate has a molecular weight of 256.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetramethylpiperidin-3-yl)butan-2-yl carbamate is sourced from PubChem (CID 54565134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).