4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid

C14H26N2O3 — CID 54889467

IUPAC4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(NCC2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-2-7-16-8-5-14(6-9-16,13(17)18)15-11-12-4-3-10-19-12/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyBKEHGWKAAIKCJX-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.08
Rot. Bonds6

About 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid

4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid (PubChem CID 54889467) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid
PubChem CID54889467
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid
SMILESCCCN1CCC(NCC2CCCO2)(C(=O)O)CC1
InChIInChI=1S/C14H26N2O3/c1-2-7-16-8-5-14(6-9-16,13(17)18)15-11-12-4-3-10-19-12/h12,15H,2-11H2,1H3,(H,17,18)
InChIKeyBKEHGWKAAIKCJX-UHFFFAOYSA-N
XLogP1.08
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid?
The IUPAC name of 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid (CID 54889467) is 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid is CCCN1CCC(NCC2CCCO2)(C(=O)O)CC1.
What is the InChIKey of 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid?
The InChIKey is BKEHGWKAAIKCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-2-7-16-8-5-14(6-9-16,13(17)18)15-11-12-4-3-10-19-12/h12,15H,2-11H2,1H3,(H,17,18).
What are the key properties of 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid?
4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-ylmethylamino)-1-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 54889467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).