3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine

C18H34N4 — CID 141170659

IUPAC3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine
SMILESC1CNCC(C2(C3CCNC3)CCCN2C2CCNCC2)C1
InChIInChI=1S/C18H34N4/c1-3-15(13-20-8-1)18(16-4-9-21-14-16)7-2-12-22(18)17-5-10-19-11-6-17/h15-17,19-21H,1-14H2
InChIKeyYSFAZPMPYXEDIV-UHFFFAOYSA-N
MW306.50 g/mol
LogP1.18
Rot. Bonds3

About 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine

3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine (PubChem CID 141170659) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine.

Molecular Properties

Compound Name3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine
PubChem CID141170659
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine
SMILESC1CNCC(C2(C3CCNC3)CCCN2C2CCNCC2)C1
InChIInChI=1S/C18H34N4/c1-3-15(13-20-8-1)18(16-4-9-21-14-16)7-2-12-22(18)17-5-10-19-11-6-17/h15-17,19-21H,1-14H2
InChIKeyYSFAZPMPYXEDIV-UHFFFAOYSA-N
XLogP1.18
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine?
The IUPAC name of 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine (CID 141170659) is 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine.
What is the SMILES notation for 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine?
The canonical SMILES for 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine is C1CNCC(C2(C3CCNC3)CCCN2C2CCNCC2)C1.
What is the InChIKey of 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine?
The InChIKey is YSFAZPMPYXEDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c1-3-15(13-20-8-1)18(16-4-9-21-14-16)7-2-12-22(18)17-5-10-19-11-6-17/h15-17,19-21H,1-14H2.
What are the key properties of 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine?
3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine has a molecular weight of 306.50 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-piperidin-4-yl-2-pyrrolidin-3-ylpyrrolidin-2-yl)piperidine is sourced from PubChem (CID 141170659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).