2-piperidin-3-ylazepane

C11H22N2 — CID 16740519

IUPAC2-piperidin-3-ylazepane
SMILESC1CCNC(C2CCCNC2)CC1
InChIInChI=1S/C11H22N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h10-13H,1-9H2
InChIKeyNILYFVLXUNTUTG-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.52
Rot. Bonds1

About 2-piperidin-3-ylazepane

2-piperidin-3-ylazepane (PubChem CID 16740519) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-piperidin-3-ylazepane.

Molecular Properties

Compound Name2-piperidin-3-ylazepane
PubChem CID16740519
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-piperidin-3-ylazepane
SMILESC1CCNC(C2CCCNC2)CC1
InChIInChI=1S/C11H22N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h10-13H,1-9H2
InChIKeyNILYFVLXUNTUTG-UHFFFAOYSA-N
XLogP1.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylazepane?
The IUPAC name of 2-piperidin-3-ylazepane (CID 16740519) is 2-piperidin-3-ylazepane.
What is the SMILES notation for 2-piperidin-3-ylazepane?
The canonical SMILES for 2-piperidin-3-ylazepane is C1CCNC(C2CCCNC2)CC1.
What is the InChIKey of 2-piperidin-3-ylazepane?
The InChIKey is NILYFVLXUNTUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-2-6-11(13-8-3-1)10-5-4-7-12-9-10/h10-13H,1-9H2.
What are the key properties of 2-piperidin-3-ylazepane?
2-piperidin-3-ylazepane has a molecular weight of 182.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylazepane is sourced from PubChem (CID 16740519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).