2-(hydroxymethyl)piperazine-1-carboxamide

C6H13N3O2 — CID 175982295

IUPAC2-(hydroxymethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1CO
InChIInChI=1S/C6H13N3O2/c7-6(11)9-2-1-8-3-5(9)4-10/h5,8,10H,1-4H2,(H2,7,11)
InChIKeyUXBBEJLVAIAJOH-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.67
Rot. Bonds1

About 2-(hydroxymethyl)piperazine-1-carboxamide

2-(hydroxymethyl)piperazine-1-carboxamide (PubChem CID 175982295) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(hydroxymethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)piperazine-1-carboxamide
PubChem CID175982295
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name2-(hydroxymethyl)piperazine-1-carboxamide
SMILESNC(=O)N1CCNCC1CO
InChIInChI=1S/C6H13N3O2/c7-6(11)9-2-1-8-3-5(9)4-10/h5,8,10H,1-4H2,(H2,7,11)
InChIKeyUXBBEJLVAIAJOH-UHFFFAOYSA-N
XLogP-1.67
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(hydroxymethyl)piperazin-1-yl]ethanone
CID 145171678
2-(hydroxymethyl)-N-methylpiperazine-1-carboxamide
CID 177056056
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
(1-amino-2-methylpropan-2-yl) (2S)-2-(hydroxymethyl)piperazine-1-carboxylate
CID 154966130
tert-butyl (2R)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072229
(2R)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 45084222
benzyl (2S)-2-(hydroxymethyl)piperazine-1-carboxylate;hydrochloride
CID 45072579
(1-oxidopiperazin-2-yl)methanol
CID 87775349
[(2R)-1-methylpiperazin-2-yl]methanol
CID 51669493
2-cyclopentylpiperazine-1-carboxamide
CID 22129458
(1-methylpiperazin-2-yl)methanol;dihydrochloride
CID 57481582
[(2R)-1-methylpiperazin-2-yl]methanol;dihydrochloride
CID 68807416

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)piperazine-1-carboxamide?
The IUPAC name of 2-(hydroxymethyl)piperazine-1-carboxamide (CID 175982295) is 2-(hydroxymethyl)piperazine-1-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)piperazine-1-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)piperazine-1-carboxamide is NC(=O)N1CCNCC1CO.
What is the InChIKey of 2-(hydroxymethyl)piperazine-1-carboxamide?
The InChIKey is UXBBEJLVAIAJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c7-6(11)9-2-1-8-3-5(9)4-10/h5,8,10H,1-4H2,(H2,7,11).
What are the key properties of 2-(hydroxymethyl)piperazine-1-carboxamide?
2-(hydroxymethyl)piperazine-1-carboxamide has a molecular weight of 159.19 g/mol, XLogP of -1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)piperazine-1-carboxamide is sourced from PubChem (CID 175982295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).