1-pyrrolidin-3-ylpiperidine

C9H18N2 — CID 23009617

IUPAC1-pyrrolidin-3-ylpiperidine
SMILESC1CCN(C2CCNC2)CC1
InChIInChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2
InChIKeyBTZQCTWJDFNRMS-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.83
Rot. Bonds1

About 1-pyrrolidin-3-ylpiperidine

1-pyrrolidin-3-ylpiperidine (PubChem CID 23009617) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name1-pyrrolidin-3-ylpiperidine
PubChem CID23009617
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-pyrrolidin-3-ylpiperidine
SMILESC1CCN(C2CCNC2)CC1
InChIInChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2
InChIKeyBTZQCTWJDFNRMS-UHFFFAOYSA-N
XLogP0.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-3-ylpiperidine?
The IUPAC name of 1-pyrrolidin-3-ylpiperidine (CID 23009617) is 1-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 1-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 1-pyrrolidin-3-ylpiperidine is C1CCN(C2CCNC2)CC1.
What is the InChIKey of 1-pyrrolidin-3-ylpiperidine?
The InChIKey is BTZQCTWJDFNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-2-6-11(7-3-1)9-4-5-10-8-9/h9-10H,1-8H2.
What are the key properties of 1-pyrrolidin-3-ylpiperidine?
1-pyrrolidin-3-ylpiperidine has a molecular weight of 154.26 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 23009617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).