1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid

C14H24N2O4 — CID 63135979

IUPAC1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N2CCCC(CO)C2)C1
InChIInChI=1S/C14H24N2O4/c1-14(12(18)19)5-3-7-16(10-14)13(20)15-6-2-4-11(8-15)9-17/h11,17H,2-10H2,1H3,(H,18,19)
InChIKeyDLPDOUAUHDIKLW-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.00
Rot. Bonds2

About 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid

1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63135979) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63135979
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N2CCCC(CO)C2)C1
InChIInChI=1S/C14H24N2O4/c1-14(12(18)19)5-3-7-16(10-14)13(20)15-6-2-4-11(8-15)9-17/h11,17H,2-10H2,1H3,(H,18,19)
InChIKeyDLPDOUAUHDIKLW-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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Related Compounds

1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 107228308
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
1-[2-(hydroxymethyl)azepane-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 116635552
1-(4,4-dimethylazepane-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 65282949
1-(3-aminopiperidine-1-carbonyl)-4-methylpiperidine-4-carboxylic acid
CID 63124373
1-(3-methoxycarbonylpiperidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 115535303
3-methyl-1-(3-propoxypiperidine-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63147419
1-(3-hydroxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55166354
1-(3-methoxypyrrolidine-1-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 103536063
3-[4-[3-(hydroxymethyl)piperidine-1-carbonyl]piperazin-1-yl]propanoic acid
CID 61201618
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667
4-methyl-1-(3-methylpiperidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63123499

Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid (CID 63135979) is 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)N2CCCC(CO)C2)C1.
What is the InChIKey of 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is DLPDOUAUHDIKLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(12(18)19)5-3-7-16(10-14)13(20)15-6-2-4-11(8-15)9-17/h11,17H,2-10H2,1H3,(H,18,19).
What are the key properties of 1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-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-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63135979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).