(6,6-dimethylpiperidin-3-yl)carbamic acid

C8H16N2O2 — CID 174227842

IUPAC(6,6-dimethylpiperidin-3-yl)carbamic acid
SMILESCC1(C)CCC(NC(=O)O)CN1
InChIInChI=1S/C8H16N2O2/c1-8(2)4-3-6(5-9-8)10-7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyDSHAPBNCIAFPGS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.78
Rot. Bonds1

About (6,6-dimethylpiperidin-3-yl)carbamic acid

(6,6-dimethylpiperidin-3-yl)carbamic acid (PubChem CID 174227842) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (6,6-dimethylpiperidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(6,6-dimethylpiperidin-3-yl)carbamic acid
PubChem CID174227842
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(6,6-dimethylpiperidin-3-yl)carbamic acid
SMILESCC1(C)CCC(NC(=O)O)CN1
InChIInChI=1S/C8H16N2O2/c1-8(2)4-3-6(5-9-8)10-7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)
InChIKeyDSHAPBNCIAFPGS-UHFFFAOYSA-N
XLogP0.78
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethylpiperidin-3-yl)carbamic acid?
The IUPAC name of (6,6-dimethylpiperidin-3-yl)carbamic acid (CID 174227842) is (6,6-dimethylpiperidin-3-yl)carbamic acid.
What is the SMILES notation for (6,6-dimethylpiperidin-3-yl)carbamic acid?
The canonical SMILES for (6,6-dimethylpiperidin-3-yl)carbamic acid is CC1(C)CCC(NC(=O)O)CN1.
What is the InChIKey of (6,6-dimethylpiperidin-3-yl)carbamic acid?
The InChIKey is DSHAPBNCIAFPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2)4-3-6(5-9-8)10-7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12).
What are the key properties of (6,6-dimethylpiperidin-3-yl)carbamic acid?
(6,6-dimethylpiperidin-3-yl)carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 0.78, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethylpiperidin-3-yl)carbamic acid is sourced from PubChem (CID 174227842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).