4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine

C15H24N2 — CID 71098641

IUPAC4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine
SMILESC1=CCCC(C2CCN(C3CCNC3)CC2)=C1
InChIInChI=1S/C15H24N2/c1-2-4-13(5-3-1)14-7-10-17(11-8-14)15-6-9-16-12-15/h1-2,4,14-16H,3,5-12H2
InChIKeyRGJQHVNUTDGWDP-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.34
Rot. Bonds2

About 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine

4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine (PubChem CID 71098641) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine.

Molecular Properties

Compound Name4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine
PubChem CID71098641
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine
SMILESC1=CCCC(C2CCN(C3CCNC3)CC2)=C1
InChIInChI=1S/C15H24N2/c1-2-4-13(5-3-1)14-7-10-17(11-8-14)15-6-9-16-12-15/h1-2,4,14-16H,3,5-12H2
InChIKeyRGJQHVNUTDGWDP-UHFFFAOYSA-N
XLogP2.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine?
The IUPAC name of 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine (CID 71098641) is 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine.
What is the SMILES notation for 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine?
The canonical SMILES for 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine is C1=CCCC(C2CCN(C3CCNC3)CC2)=C1.
What is the InChIKey of 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine?
The InChIKey is RGJQHVNUTDGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-4-13(5-3-1)14-7-10-17(11-8-14)15-6-9-16-12-15/h1-2,4,14-16H,3,5-12H2.
What are the key properties of 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine?
4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine has a molecular weight of 232.37 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,3-dien-1-yl-1-pyrrolidin-3-ylpiperidine is sourced from PubChem (CID 71098641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).