(3,3-dimethylpiperidin-4-yl) carbamate

C8H16N2O2 — CID 130533514

IUPAC(3,3-dimethylpiperidin-4-yl) carbamate
SMILESCC1(C)CNCCC1OC(N)=O
InChIInChI=1S/C8H16N2O2/c1-8(2)5-10-4-3-6(8)12-7(9)11/h6,10H,3-5H2,1-2H3,(H2,9,11)
InChIKeyWTDGWDBYEPQRPS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.47
Rot. Bonds1

About (3,3-dimethylpiperidin-4-yl) carbamate

(3,3-dimethylpiperidin-4-yl) carbamate (PubChem CID 130533514) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3,3-dimethylpiperidin-4-yl) carbamate.

Molecular Properties

Compound Name(3,3-dimethylpiperidin-4-yl) carbamate
PubChem CID130533514
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(3,3-dimethylpiperidin-4-yl) carbamate
SMILESCC1(C)CNCCC1OC(N)=O
InChIInChI=1S/C8H16N2O2/c1-8(2)5-10-4-3-6(8)12-7(9)11/h6,10H,3-5H2,1-2H3,(H2,9,11)
InChIKeyWTDGWDBYEPQRPS-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylpiperidin-4-yl) carbamate?
The IUPAC name of (3,3-dimethylpiperidin-4-yl) carbamate (CID 130533514) is (3,3-dimethylpiperidin-4-yl) carbamate.
What is the SMILES notation for (3,3-dimethylpiperidin-4-yl) carbamate?
The canonical SMILES for (3,3-dimethylpiperidin-4-yl) carbamate is CC1(C)CNCCC1OC(N)=O.
What is the InChIKey of (3,3-dimethylpiperidin-4-yl) carbamate?
The InChIKey is WTDGWDBYEPQRPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2)5-10-4-3-6(8)12-7(9)11/h6,10H,3-5H2,1-2H3,(H2,9,11).
What are the key properties of (3,3-dimethylpiperidin-4-yl) carbamate?
(3,3-dimethylpiperidin-4-yl) carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylpiperidin-4-yl) carbamate is sourced from PubChem (CID 130533514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).