2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid

C14H24N2O4 — CID 62674492

IUPAC2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)N2CCCCC2CO)C1
InChIInChI=1S/C14H24N2O4/c17-10-12-5-1-2-7-16(12)14(20)15-6-3-4-11(9-15)8-13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyVUGVOAPDMCSUCB-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.14
Rot. Bonds3

About 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid

2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid (PubChem CID 62674492) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
PubChem CID62674492
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(C(=O)N2CCCCC2CO)C1
InChIInChI=1S/C14H24N2O4/c17-10-12-5-1-2-7-16(12)14(20)15-6-3-4-11(9-15)8-13(18)19/h11-12,17H,1-10H2,(H,18,19)
InChIKeyVUGVOAPDMCSUCB-UHFFFAOYSA-N
XLogP1.14
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81125270
1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 61407742
2-[1-(piperidine-1-carbonyl)piperidin-2-yl]acetic acid
CID 61181297
2-[1-[4-(hydroxymethyl)piperidine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61369998
2-[1-(cycloheptanecarbonyl)piperidin-3-yl]acetic acid
CID 62691115
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]piperidin-3-yl]acetic acid
CID 81198516
(3S)-1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]piperidine-3-carboxylic acid
CID 81126149
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-2-yl]acetic acid
CID 79930590
2-[1-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]acetic acid
CID 112626827
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
[4-(ethylaminomethyl)piperidin-1-yl]-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 142647484
2-[1-(2-propylpiperidine-1-carbonyl)piperidin-4-yl]acetic acid
CID 83045912

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid (CID 62674492) is 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(C(=O)N2CCCCC2CO)C1.
What is the InChIKey of 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid?
The InChIKey is VUGVOAPDMCSUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-10-12-5-1-2-7-16(12)14(20)15-6-3-4-11(9-15)8-13(18)19/h11-12,17H,1-10H2,(H,18,19).
What are the key properties of 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid?
2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid has a molecular weight of 284.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(hydroxymethyl)piperidine-1-carbonyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62674492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).