1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one

C14H27N3O2 — CID 62480817

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1CCCO)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-12(16-9-6-15-7-10-16)14(19)17-8-2-4-13(17)5-3-11-18/h12-13,15,18H,2-11H2,1H3
InChIKeySXBHFFMDIOHNQU-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.04
Rot. Bonds5

About 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one (PubChem CID 62480817) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one
PubChem CID62480817
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1CCCO)N1CCNCC1
InChIInChI=1S/C14H27N3O2/c1-12(16-9-6-15-7-10-16)14(19)17-8-2-4-13(17)5-3-11-18/h12-13,15,18H,2-11H2,1H3
InChIKeySXBHFFMDIOHNQU-UHFFFAOYSA-N
XLogP0.04
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 55076215
(2R)-2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 104903407
5-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-methylpentan-1-one
CID 104684988
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 62469124
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
ethyl 1-(2-piperazin-1-ylpropanoyl)piperidine-2-carboxylate
CID 43648369
N-[1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 110918942
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 55075936
(2S,3R)-3-hydroxy-2-[[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 104966198

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one (CID 62480817) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one is CC(C(=O)N1CCCC1CCCO)N1CCNCC1.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one?
The InChIKey is SXBHFFMDIOHNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(16-9-6-15-7-10-16)14(19)17-8-2-4-13(17)5-3-11-18/h12-13,15,18H,2-11H2,1H3.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one has a molecular weight of 269.39 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 62480817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).