4-(ethylamino)piperidine-1-carboxylic acid

C8H16N2O2 — CID 23137099

IUPAC4-(ethylamino)piperidine-1-carboxylic acid
SMILESCCNC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-2-9-7-3-5-10(6-4-7)8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyKSFBTTQRCGWPMA-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.74
Rot. Bonds2

About 4-(ethylamino)piperidine-1-carboxylic acid

4-(ethylamino)piperidine-1-carboxylic acid (PubChem CID 23137099) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4-(ethylamino)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(ethylamino)piperidine-1-carboxylic acid
PubChem CID23137099
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4-(ethylamino)piperidine-1-carboxylic acid
SMILESCCNC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16N2O2/c1-2-9-7-3-5-10(6-4-7)8(11)12/h7,9H,2-6H2,1H3,(H,11,12)
InChIKeyKSFBTTQRCGWPMA-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 4-(ethylamino)piperidine-1-carboxylic acid?
The IUPAC name of 4-(ethylamino)piperidine-1-carboxylic acid (CID 23137099) is 4-(ethylamino)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(ethylamino)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(ethylamino)piperidine-1-carboxylic acid is CCNC1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(ethylamino)piperidine-1-carboxylic acid?
The InChIKey is KSFBTTQRCGWPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-9-7-3-5-10(6-4-7)8(11)12/h7,9H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(ethylamino)piperidine-1-carboxylic acid?
4-(ethylamino)piperidine-1-carboxylic 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 4-(ethylamino)piperidine-1-carboxylic acid is sourced from PubChem (CID 23137099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).