[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone

C11H21N3O2 — CID 82509980

IUPAC[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCN(CCO)C1)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c15-8-7-13-4-1-10(9-13)11(16)14-5-2-12-3-6-14/h10,12,15H,1-9H2
InChIKeyHDROUNYEZMDUDR-UHFFFAOYSA-N
MW227.31 g/mol
LogP-1.27
Rot. Bonds3

About [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone

[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone (PubChem CID 82509980) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone
PubChem CID82509980
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone
SMILESO=C(C1CCN(CCO)C1)N1CCNCC1
InChIInChI=1S/C11H21N3O2/c15-8-7-13-4-1-10(9-13)11(16)14-5-2-12-3-6-14/h10,12,15H,1-9H2
InChIKeyHDROUNYEZMDUDR-UHFFFAOYSA-N
XLogP-1.27
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(piperazine-1-carbonyl)pyrrolidin-1-yl]acetamide
CID 82511336
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981105
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
piperazin-1-yl-[1-(thiolan-3-ylmethyl)piperidin-3-yl]methanone
CID 120836168
[4-(2-hydroxyethyl)piperazin-1-yl]-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methanone
CID 110903689
(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
cyclopropyl-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 63308401
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
2-(1,4,7,10-tetrazacyclododec-1-yl)ethanol
CID 12963738
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226

Frequently Asked Questions

What is the IUPAC name of [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone (CID 82509980) is [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone is O=C(C1CCN(CCO)C1)N1CCNCC1.
What is the InChIKey of [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is HDROUNYEZMDUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c15-8-7-13-4-1-10(9-13)11(16)14-5-2-12-3-6-14/h10,12,15H,1-9H2.
What are the key properties of [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone?
[1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 227.31 g/mol, XLogP of -1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-hydroxyethyl)pyrrolidin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82509980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).