4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid

C14H26N2O2 — CID 43803768

IUPAC4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)15-10-6-14(7-11-15,13(17)18)16-8-4-3-5-9-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyXIVVGYGBFGZVRB-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.80
Rot. Bonds3

About 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid

4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid (PubChem CID 43803768) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid
PubChem CID43803768
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid
SMILESCC(C)N1CCC(C(=O)O)(N2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(2)15-10-6-14(7-11-15,13(17)18)16-8-4-3-5-9-16/h12H,3-11H2,1-2H3,(H,17,18)
InChIKeyXIVVGYGBFGZVRB-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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Related Compounds

4-(Piperidin-1-yl)piperidine-4-carboxylic acid
CID 22185355
1'-Methyl(1,4'-bipiperidine)-4-carboxylic acid
CID 2761156
1-(1-Methylpiperidin-4-yl)piperidine-4-carboxylic acid dihydrochloride
CID 45075036
4-(Piperazin-1-yl)piperidine-4-carboxylic acid
CID 61242816
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 69806857
Bis-[2-(2,6-dioxomorpholin-4-yl)ethyl]-aminoacetic acid
CID 129887021
4-Fluoro-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
CID 115055582
4-(Fluoromethyl)-1-(1-methylpiperidin-4-yl)piperidine-4-carboxylic acid
CID 115055622
1-(1-Methylpiperidin-4-yl)piperidine-4-carboxylic acid sesquihydrate
CID 2761155
1-(1-Propyl-4-piperidyl)piperidine-4-carboxylic acid
CID 3389715
4-Amino-1-tert-butylpiperidine-4-carboxylic acid
CID 3795449
4-Amino-1-ethyl-4-piperidinecarboxylic acid
CID 5029201

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid (CID 43803768) is 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid is CC(C)N1CCC(C(=O)O)(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid?
The InChIKey is XIVVGYGBFGZVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(2)15-10-6-14(7-11-15,13(17)18)16-8-4-3-5-9-16/h12H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 4-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid?
4-piperidin-1-yl-1-propan-2-ylpiperidine-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-piperidin-1-yl-1-propan-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 43803768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).