(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid

C12H24N2O3 — CID 69483125

IUPAC(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(O)C1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)10(14-11(16)17)9(15)8-4-6-13-7-5-8/h8-10,13-15H,4-7H2,1-3H3,(H,16,17)
InChIKeyTUTJYJWGQCRZML-UHFFFAOYSA-N
MW244.33 g/mol
LogP1.03
Rot. Bonds3

About (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid

(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid (PubChem CID 69483125) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid.

Molecular Properties

Compound Name(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
PubChem CID69483125
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid
SMILESCC(C)(C)C(NC(=O)O)C(O)C1CCNCC1
InChIInChI=1S/C12H24N2O3/c1-12(2,3)10(14-11(16)17)9(15)8-4-6-13-7-5-8/h8-10,13-15H,4-7H2,1-3H3,(H,16,17)
InChIKeyTUTJYJWGQCRZML-UHFFFAOYSA-N
XLogP1.03
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid?
The IUPAC name of (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid (CID 69483125) is (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid.
What is the SMILES notation for (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid?
The canonical SMILES for (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid is CC(C)(C)C(NC(=O)O)C(O)C1CCNCC1.
What is the InChIKey of (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid?
The InChIKey is TUTJYJWGQCRZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-12(2,3)10(14-11(16)17)9(15)8-4-6-13-7-5-8/h8-10,13-15H,4-7H2,1-3H3,(H,16,17).
What are the key properties of (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid?
(1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid has a molecular weight of 244.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxy-3,3-dimethyl-1-piperidin-4-ylbutan-2-yl)carbamic acid is sourced from PubChem (CID 69483125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).