4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid

C14H26N2O2 — CID 54914357

IUPAC4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(N2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-15-11-7-14(8-12-15,13(17)18)16-9-5-3-4-6-10-16/h2-12H2,1H3,(H,17,18)
InChIKeyGBSZWSLSXMOHOV-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds3

About 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid

4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid (PubChem CID 54914357) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid
PubChem CID54914357
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid
SMILESCCN1CCC(C(=O)O)(N2CCCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-2-15-11-7-14(8-12-15,13(17)18)16-9-5-3-4-6-10-16/h2-12H2,1H3,(H,17,18)
InChIKeyGBSZWSLSXMOHOV-UHFFFAOYSA-N
XLogP1.80
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid (CID 54914357) is 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid is CCN1CCC(C(=O)O)(N2CCCCCC2)CC1.
What is the InChIKey of 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid?
The InChIKey is GBSZWSLSXMOHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-15-11-7-14(8-12-15,13(17)18)16-9-5-3-4-6-10-16/h2-12H2,1H3,(H,17,18).
What are the key properties of 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid?
4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid has a molecular weight of 254.37 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-1-ethylpiperidine-4-carboxylic acid is sourced from PubChem (CID 54914357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).