1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine

C14H28N4 — CID 63169674

IUPAC1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
SMILESC1CCN(C2CCN(CCN3CCNCC3)C2)C1
InChIInChI=1S/C14H28N4/c1-2-7-18(6-1)14-3-8-17(13-14)12-11-16-9-4-15-5-10-16/h14-15H,1-13H2
InChIKeyLIAZYKFZRJSYCJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP0.06
Rot. Bonds4

About 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine

1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine (PubChem CID 63169674) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
PubChem CID63169674
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine
SMILESC1CCN(C2CCN(CCN3CCNCC3)C2)C1
InChIInChI=1S/C14H28N4/c1-2-7-18(6-1)14-3-8-17(13-14)12-11-16-9-4-15-5-10-16/h14-15H,1-13H2
InChIKeyLIAZYKFZRJSYCJ-UHFFFAOYSA-N
XLogP0.06
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328370
2-[3-(1,4-diazepan-1-yl)pyrrolidin-1-yl]-N,N-dimethylethanamine
CID 117004539
2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 45157083
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
1-[1-(2-piperidin-1-ylethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 80553769
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-piperazin-1-ylpropan-1-one
CID 79932789
1-[1-(cyclopropylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968111
1-[1-(3-methylbutyl)pyrrolidin-3-yl]piperidine
CID 155151188
2-[4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)piperidin-1-yl]ethanamine
CID 117044503
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]piperidin-4-amine
CID 79943728

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine (CID 63169674) is 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine is C1CCN(C2CCN(CCN3CCNCC3)C2)C1.
What is the InChIKey of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine?
The InChIKey is LIAZYKFZRJSYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-2-7-18(6-1)14-3-8-17(13-14)12-11-16-9-4-15-5-10-16/h14-15H,1-13H2.
What are the key properties of 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine?
1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine has a molecular weight of 252.41 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]piperazine is sourced from PubChem (CID 63169674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).