1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid

C14H24N2O4 — CID 106743942

IUPAC1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H24N2O4/c1-10-8-12(13(18)19)4-7-16(10)14(20)15-5-2-11(9-17)3-6-15/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyOQZYFBMGARPNCC-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds2

About 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid

1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106743942) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106743942
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N1CCC(CO)CC1
InChIInChI=1S/C14H24N2O4/c1-10-8-12(13(18)19)4-7-16(10)14(20)15-5-2-11(9-17)3-6-15/h10-12,17H,2-9H2,1H3,(H,18,19)
InChIKeyOQZYFBMGARPNCC-UHFFFAOYSA-N
XLogP1.00
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid (CID 106743942) is 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N1CCC(CO)CC1.
What is the InChIKey of 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is OQZYFBMGARPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10-8-12(13(18)19)4-7-16(10)14(20)15-5-2-11(9-17)3-6-15/h10-12,17H,2-9H2,1H3,(H,18,19).
What are the key properties of 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid?
1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxymethyl)piperidine-1-carbonyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106743942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).