2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane

C14H26N2 — CID 62212534

IUPAC2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane
SMILESC(CC1CCNCC1)CN1CC2CCC1C2
InChIInChI=1S/C14H26N2/c1(2-12-5-7-15-8-6-12)9-16-11-13-3-4-14(16)10-13/h12-15H,1-11H2
InChIKeyRQLFDLLTNGYBLL-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.25
Rot. Bonds4

About 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane

2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 62212534) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane
PubChem CID62212534
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane
SMILESC(CC1CCNCC1)CN1CC2CCC1C2
InChIInChI=1S/C14H26N2/c1(2-12-5-7-15-8-6-12)9-16-11-13-3-4-14(16)10-13/h12-15H,1-11H2
InChIKeyRQLFDLLTNGYBLL-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane (CID 62212534) is 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane is C(CC1CCNCC1)CN1CC2CCC1C2.
What is the InChIKey of 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is RQLFDLLTNGYBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1(2-12-5-7-15-8-6-12)9-16-11-13-3-4-14(16)10-13/h12-15H,1-11H2.
What are the key properties of 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane?
2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 222.38 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 62212534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).