[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone

C10H19N3O2 — CID 63103994

IUPAC[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
SMILESO=C(C1CNCCN1)N1CCCC1CO
InChIInChI=1S/C10H19N3O2/c14-7-8-2-1-5-13(8)10(15)9-6-11-3-4-12-9/h8-9,11-12,14H,1-7H2
InChIKeyOCSFELJUMHTXOX-UHFFFAOYSA-N
MW213.28 g/mol
LogP-1.47
Rot. Bonds2

About [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone

[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone (PubChem CID 63103994) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
PubChem CID63103994
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone
SMILESO=C(C1CNCCN1)N1CCCC1CO
InChIInChI=1S/C10H19N3O2/c14-7-8-2-1-5-13(8)10(15)9-6-11-3-4-12-9/h8-9,11-12,14H,1-7H2
InChIKeyOCSFELJUMHTXOX-UHFFFAOYSA-N
XLogP-1.47
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-pyrrolidin-2-ylmethanone
CID 103840926
[2-(hydroxymethyl)pyrrolidin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 104913741
azepan-2-yl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107217930
azepan-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634620
(2-cyclopentylpyrrolidin-1-yl)-piperazin-2-ylmethanone
CID 63103464
[2-(hydroxymethyl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 63005263
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-morpholin-2-ylmethanone
CID 107217729
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
(4-ethylpiperidin-2-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114429600
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 62479213
[2-(hydroxymethyl)azepan-1-yl]-(3-methylpiperidin-4-yl)methanone
CID 114278715
azocan-1-yl(piperazin-2-yl)methanone
CID 63104167

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
The IUPAC name of [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone (CID 63103994) is [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone.
What is the SMILES notation for [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
The canonical SMILES for [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone is O=C(C1CNCCN1)N1CCCC1CO.
What is the InChIKey of [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
The InChIKey is OCSFELJUMHTXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c14-7-8-2-1-5-13(8)10(15)9-6-11-3-4-12-9/h8-9,11-12,14H,1-7H2.
What are the key properties of [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone?
[2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone has a molecular weight of 213.28 g/mol, XLogP of -1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)pyrrolidin-1-yl]-piperazin-2-ylmethanone is sourced from PubChem (CID 63103994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).