[(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid

C8H16N2O2 — CID 20792050

IUPAC[(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid
SMILESCC1(C)CNC[C@@H](NC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-8(2)3-6(4-9-5-8)10-7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyCQVXBSIUYSYHQQ-LURJTMIESA-N
MW172.23 g/mol
LogP0.64
Rot. Bonds1

About [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid

[(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid (PubChem CID 20792050) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid
PubChem CID20792050
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name[(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid
SMILESCC1(C)CNC[C@@H](NC(=O)O)C1
InChIInChI=1S/C8H16N2O2/c1-8(2)3-6(4-9-5-8)10-7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyCQVXBSIUYSYHQQ-LURJTMIESA-N
XLogP0.64
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 ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid?
The IUPAC name of [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid (CID 20792050) is [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid is CC1(C)CNC[C@@H](NC(=O)O)C1.
What is the InChIKey of [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid?
The InChIKey is CQVXBSIUYSYHQQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2)3-6(4-9-5-8)10-7(11)12/h6,9-10H,3-5H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid?
[(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 0.64, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5,5-dimethylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 20792050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).