ethyl(piperidin-4-yl)carbamic acid

C8H16N2O2 — CID 22121997

IUPACethyl(piperidin-4-yl)carbamic acid
SMILESCCN(C(=O)O)C1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-10(8(11)12)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyLNWJKVVAPVYFOW-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.74
Rot. Bonds2

About ethyl(piperidin-4-yl)carbamic acid

ethyl(piperidin-4-yl)carbamic acid (PubChem CID 22121997) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is ethyl(piperidin-4-yl)carbamic acid.

Molecular Properties

Compound Nameethyl(piperidin-4-yl)carbamic acid
PubChem CID22121997
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nameethyl(piperidin-4-yl)carbamic acid
SMILESCCN(C(=O)O)C1CCNCC1
InChIInChI=1S/C8H16N2O2/c1-2-10(8(11)12)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyLNWJKVVAPVYFOW-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 ethyl(piperidin-4-yl)carbamic acid?
The IUPAC name of ethyl(piperidin-4-yl)carbamic acid (CID 22121997) is ethyl(piperidin-4-yl)carbamic acid.
What is the SMILES notation for ethyl(piperidin-4-yl)carbamic acid?
The canonical SMILES for ethyl(piperidin-4-yl)carbamic acid is CCN(C(=O)O)C1CCNCC1.
What is the InChIKey of ethyl(piperidin-4-yl)carbamic acid?
The InChIKey is LNWJKVVAPVYFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-10(8(11)12)7-3-5-9-6-4-7/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of ethyl(piperidin-4-yl)carbamic acid?
ethyl(piperidin-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 ethyl(piperidin-4-yl)carbamic acid is sourced from PubChem (CID 22121997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).