2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid

C15H28N2O2 — CID 64526939

IUPAC2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid
SMILESCCN1CCC(CC(=O)O)(N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-16-11-7-15(8-12-16,13-14(18)19)17-9-5-3-4-6-10-17/h2-13H2,1H3,(H,18,19)
InChIKeyAPOVBQXRFKIGLV-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.19
Rot. Bonds4

About 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid

2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid (PubChem CID 64526939) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid
PubChem CID64526939
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid
SMILESCCN1CCC(CC(=O)O)(N2CCCCCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-2-16-11-7-15(8-12-16,13-14(18)19)17-9-5-3-4-6-10-17/h2-13H2,1H3,(H,18,19)
InChIKeyAPOVBQXRFKIGLV-UHFFFAOYSA-N
XLogP2.19
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid?
The IUPAC name of 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid (CID 64526939) is 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid?
The canonical SMILES for 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid is CCN1CCC(CC(=O)O)(N2CCCCCC2)CC1.
What is the InChIKey of 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid?
The InChIKey is APOVBQXRFKIGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-16-11-7-15(8-12-16,13-14(18)19)17-9-5-3-4-6-10-17/h2-13H2,1H3,(H,18,19).
What are the key properties of 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid?
2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid has a molecular weight of 268.40 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(azepan-1-yl)-1-ethylpiperidin-4-yl]acetic acid is sourced from PubChem (CID 64526939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).