4-piperidin-1-ylbutan-2-ylcarbamic acid

C10H20N2O2 — CID 22717121

IUPAC4-piperidin-1-ylbutan-2-ylcarbamic acid
SMILESCC(CCN1CCCCC1)NC(=O)O
InChIInChI=1S/C10H20N2O2/c1-9(11-10(13)14)5-8-12-6-3-2-4-7-12/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyXNUCJYCNDBCLFP-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.52
Rot. Bonds4

About 4-piperidin-1-ylbutan-2-ylcarbamic acid

4-piperidin-1-ylbutan-2-ylcarbamic acid (PubChem CID 22717121) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 4-piperidin-1-ylbutan-2-ylcarbamic acid.

Molecular Properties

Compound Name4-piperidin-1-ylbutan-2-ylcarbamic acid
PubChem CID22717121
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name4-piperidin-1-ylbutan-2-ylcarbamic acid
SMILESCC(CCN1CCCCC1)NC(=O)O
InChIInChI=1S/C10H20N2O2/c1-9(11-10(13)14)5-8-12-6-3-2-4-7-12/h9,11H,2-8H2,1H3,(H,13,14)
InChIKeyXNUCJYCNDBCLFP-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-ylbutan-2-ylcarbamic acid?
The IUPAC name of 4-piperidin-1-ylbutan-2-ylcarbamic acid (CID 22717121) is 4-piperidin-1-ylbutan-2-ylcarbamic acid.
What is the SMILES notation for 4-piperidin-1-ylbutan-2-ylcarbamic acid?
The canonical SMILES for 4-piperidin-1-ylbutan-2-ylcarbamic acid is CC(CCN1CCCCC1)NC(=O)O.
What is the InChIKey of 4-piperidin-1-ylbutan-2-ylcarbamic acid?
The InChIKey is XNUCJYCNDBCLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-9(11-10(13)14)5-8-12-6-3-2-4-7-12/h9,11H,2-8H2,1H3,(H,13,14).
What are the key properties of 4-piperidin-1-ylbutan-2-ylcarbamic acid?
4-piperidin-1-ylbutan-2-ylcarbamic acid has a molecular weight of 200.28 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-ylbutan-2-ylcarbamic acid is sourced from PubChem (CID 22717121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).