(1-ethylpiperidin-4-yl)carbamic acid

C8H16N2O2 — CID 22394455

IUPAC(1-ethylpiperidin-4-yl)carbamic acid
SMILESCCN1CCC(NC(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-2-10-5-3-7(4-6-10)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyPDBAOYYWNHQXPS-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.74
Rot. Bonds2

About (1-ethylpiperidin-4-yl)carbamic acid

(1-ethylpiperidin-4-yl)carbamic acid (PubChem CID 22394455) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (1-ethylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(1-ethylpiperidin-4-yl)carbamic acid
PubChem CID22394455
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name(1-ethylpiperidin-4-yl)carbamic acid
SMILESCCN1CCC(NC(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-2-10-5-3-7(4-6-10)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyPDBAOYYWNHQXPS-UHFFFAOYSA-N
XLogP0.74
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-4-yl)carbamic acid?
The IUPAC name of (1-ethylpiperidin-4-yl)carbamic acid (CID 22394455) is (1-ethylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for (1-ethylpiperidin-4-yl)carbamic acid?
The canonical SMILES for (1-ethylpiperidin-4-yl)carbamic acid is CCN1CCC(NC(=O)O)CC1.
What is the InChIKey of (1-ethylpiperidin-4-yl)carbamic acid?
The InChIKey is PDBAOYYWNHQXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-10-5-3-7(4-6-10)9-8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of (1-ethylpiperidin-4-yl)carbamic acid?
(1-ethylpiperidin-4-yl)carbamic acid has a molecular weight of 172.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 22394455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).