1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid

C15H26N2O4 — CID 107228308

IUPAC1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N2CCCC(CCO)C2)C1
InChIInChI=1S/C15H26N2O4/c1-15(13(19)20)6-3-8-17(11-15)14(21)16-7-2-4-12(10-16)5-9-18/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyKLJJPOILTHBGDN-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.39
Rot. Bonds3

About 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid

1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 107228308) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID107228308
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCCN(C(=O)N2CCCC(CCO)C2)C1
InChIInChI=1S/C15H26N2O4/c1-15(13(19)20)6-3-8-17(11-15)14(21)16-7-2-4-12(10-16)5-9-18/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyKLJJPOILTHBGDN-UHFFFAOYSA-N
XLogP1.39
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(hydroxymethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid
CID 63135979
(3S)-1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 107228221
(3R)-3-(2-hydroxyethyl)piperidine-1-carboxylic acid
CID 69075758
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
2-cyclohexyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372498
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[3-(2-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 107227490
3-methyl-1-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63135667

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid (CID 107228308) is 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid is CC1(C(=O)O)CCCN(C(=O)N2CCCC(CCO)C2)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is KLJJPOILTHBGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(13(19)20)6-3-8-17(11-15)14(21)16-7-2-4-12(10-16)5-9-18/h12,18H,2-11H2,1H3,(H,19,20).
What are the key properties of 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid?
1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 107228308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).