1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine

C13H26N4 — CID 68506465

IUPAC1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine
SMILESC1CC(N2CCNCC2C2CCNC2)CCN1
InChIInChI=1S/C13H26N4/c1-4-15-9-11(1)13-10-16-7-8-17(13)12-2-5-14-6-3-12/h11-16H,1-10H2
InChIKeyXWTDQAMFJIZMGH-UHFFFAOYSA-N
MW238.38 g/mol
LogP-0.38
Rot. Bonds2

About 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine

1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine (PubChem CID 68506465) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine.

Molecular Properties

Compound Name1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine
PubChem CID68506465
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine
SMILESC1CC(N2CCNCC2C2CCNC2)CCN1
InChIInChI=1S/C13H26N4/c1-4-15-9-11(1)13-10-16-7-8-17(13)12-2-5-14-6-3-12/h11-16H,1-10H2
InChIKeyXWTDQAMFJIZMGH-UHFFFAOYSA-N
XLogP-0.38
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine?
The IUPAC name of 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine (CID 68506465) is 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine.
What is the SMILES notation for 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine?
The canonical SMILES for 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine is C1CC(N2CCNCC2C2CCNC2)CCN1.
What is the InChIKey of 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine?
The InChIKey is XWTDQAMFJIZMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-4-15-9-11(1)13-10-16-7-8-17(13)12-2-5-14-6-3-12/h11-16H,1-10H2.
What are the key properties of 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine?
1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine has a molecular weight of 238.38 g/mol, XLogP of -0.38, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-pyrrolidin-3-ylpiperazine is sourced from PubChem (CID 68506465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).