4-pyrrolidin-3-ylpiperidine

C9H18N2 — CID 21109168

IUPAC4-pyrrolidin-3-ylpiperidine
SMILESC1CC(C2CCNC2)CCN1
InChIInChI=1S/C9H18N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-11H,1-7H2
InChIKeyRSFPJJIANDNPLH-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.60
Rot. Bonds1

About 4-pyrrolidin-3-ylpiperidine

4-pyrrolidin-3-ylpiperidine (PubChem CID 21109168) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name4-pyrrolidin-3-ylpiperidine
PubChem CID21109168
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-pyrrolidin-3-ylpiperidine
SMILESC1CC(C2CCNC2)CCN1
InChIInChI=1S/C9H18N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-11H,1-7H2
InChIKeyRSFPJJIANDNPLH-UHFFFAOYSA-N
XLogP0.60
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-ylpiperidine?
The IUPAC name of 4-pyrrolidin-3-ylpiperidine (CID 21109168) is 4-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 4-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 4-pyrrolidin-3-ylpiperidine is C1CC(C2CCNC2)CCN1.
What is the InChIKey of 4-pyrrolidin-3-ylpiperidine?
The InChIKey is RSFPJJIANDNPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-10-5-2-8(1)9-3-6-11-7-9/h8-11H,1-7H2.
What are the key properties of 4-pyrrolidin-3-ylpiperidine?
4-pyrrolidin-3-ylpiperidine has a molecular weight of 154.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 21109168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).