1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine

C16H31N5 — CID 175882463

IUPAC1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine
SMILESC1CCN(C2CCCN2N2CCCC2N2CCNCC2)C1
InChIInChI=1S/C16H31N5/c1-2-10-18(9-1)15-5-3-11-20(15)21-12-4-6-16(21)19-13-7-17-8-14-19/h15-17H,1-14H2
InChIKeyGUSSSSKZZVZFCL-UHFFFAOYSA-N
MW293.46 g/mol
LogP0.75
Rot. Bonds3

About 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine

1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine (PubChem CID 175882463) has the molecular formula C16H31N5 and a molecular weight of 293.46 g/mol. Its IUPAC name is 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine.

Molecular Properties

Compound Name1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine
PubChem CID175882463
Molecular FormulaC16H31N5
Molecular Weight293.46 g/mol
Exact Mass293.26
IUPAC Name1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine
SMILESC1CCN(C2CCCN2N2CCCC2N2CCNCC2)C1
InChIInChI=1S/C16H31N5/c1-2-10-18(9-1)15-5-3-11-20(15)21-12-4-6-16(21)19-13-7-17-8-14-19/h15-17H,1-14H2
InChIKeyGUSSSSKZZVZFCL-UHFFFAOYSA-N
XLogP0.75
TPSA24.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 68510869
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1-(2-pyrrolidin-1-ylpiperazin-1-yl)ethanone
CID 70297002
1,2,3,4,5,6,7,9,10,11,12,12a-dodecahydropyrido[1,2-a][1,4,7]triazonine;trihydrobromide
CID 22495462
(8aR)-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine;hydrochloride
CID 71607215
4-pyrrolidin-1-ylpiperidine;hydrochloride
CID 45075209
1-cycloheptylpiperazine;methane
CID 143122535
1-piperidin-4-ylpiperidine chloride
CID 3083875
1-cyclopentylpiperazine;ethane
CID 143559542
1-(oxan-4-yl)piperazine;1-(oxan-4-yl)piperidine;piperidine
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1,4-diazabicyclo[6.2.0]decane
CID 118210284

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine?
The IUPAC name of 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine (CID 175882463) is 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine.
What is the SMILES notation for 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine?
The canonical SMILES for 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine is C1CCN(C2CCCN2N2CCCC2N2CCNCC2)C1.
What is the InChIKey of 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine?
The InChIKey is GUSSSSKZZVZFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N5/c1-2-10-18(9-1)15-5-3-11-20(15)21-12-4-6-16(21)19-13-7-17-8-14-19/h15-17H,1-14H2.
What are the key properties of 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine?
1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine has a molecular weight of 293.46 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-pyrrolidin-1-ylpyrrolidin-1-yl)pyrrolidin-2-yl]piperazine is sourced from PubChem (CID 175882463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).