(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

Analyze (6,6-dimethylpiperidin-3-yl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
[(3S,4S)-4-hydroxy-4-methylpyrrolidin-3-yl]carbamic acid
CID 146268670
(4-benzamido-4-methylcyclohexyl)carbamic acid
CID 156534206
[4-[bis(prop-2-enyl)amino]-4-methylcyclohexyl]carbamic acid
CID 135307784
[(3R)-5,5-difluoropiperidin-3-yl]carbamic acid
CID 146599209
[(3R,5S)-5-hydroxypiperidin-3-yl]carbamic acid
CID 174231588
[(1S,3R)-3-(methylamino)cyclopentyl]carbamic acid
CID 146636382
2-methyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 131019627
methyl 5,5-dimethylpyrrolidine-2-carboxylate
CID 75088958
[(2R,4R)-2-methylpiperidin-4-yl]carbamic acid
CID 146485805
N-(4,4-dimethylcyclohexyl)acetamide;hydrochloride
CID 156735738

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).