[4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate

C13H26N2O3 — CID 174511222

IUPAC[4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate
SMILESCC(CC1CC(CO)CCN1)C(C)(C)OC(N)=O
InChIInChI=1S/C13H26N2O3/c1-9(13(2,3)18-12(14)17)6-11-7-10(8-16)4-5-15-11/h9-11,15-16H,4-8H2,1-3H3,(H2,14,17)
InChIKeyOLDZISFQXMAWFK-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.25
Rot. Bonds5

About [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate

[4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate (PubChem CID 174511222) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate
PubChem CID174511222
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name[4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate
SMILESCC(CC1CC(CO)CCN1)C(C)(C)OC(N)=O
InChIInChI=1S/C13H26N2O3/c1-9(13(2,3)18-12(14)17)6-11-7-10(8-16)4-5-15-11/h9-11,15-16H,4-8H2,1-3H3,(H2,14,17)
InChIKeyOLDZISFQXMAWFK-UHFFFAOYSA-N
XLogP1.25
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate?
The IUPAC name of [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate (CID 174511222) is [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate.
What is the SMILES notation for [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate?
The canonical SMILES for [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate is CC(CC1CC(CO)CCN1)C(C)(C)OC(N)=O.
What is the InChIKey of [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate?
The InChIKey is OLDZISFQXMAWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(13(2,3)18-12(14)17)6-11-7-10(8-16)4-5-15-11/h9-11,15-16H,4-8H2,1-3H3,(H2,14,17).
What are the key properties of [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate?
[4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate has a molecular weight of 258.36 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)piperidin-2-yl]-2,3-dimethylbutan-2-yl] carbamate is sourced from PubChem (CID 174511222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).