2-piperidin-1-yl-1H-1,4-diazepine

C10H15N3 — CID 18329617

IUPAC2-piperidin-1-yl-1H-1,4-diazepine
SMILESC1=CNC(N2CCCCC2)=CN=C1
InChIInChI=1S/C10H15N3/c1-2-7-13(8-3-1)10-9-11-5-4-6-12-10/h4-6,9,12H,1-3,7-8H2
InChIKeyYSJJGPCKGKJJHA-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.46
Rot. Bonds1

About 2-piperidin-1-yl-1H-1,4-diazepine

2-piperidin-1-yl-1H-1,4-diazepine (PubChem CID 18329617) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-piperidin-1-yl-1H-1,4-diazepine.

Molecular Properties

Compound Name2-piperidin-1-yl-1H-1,4-diazepine
PubChem CID18329617
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-piperidin-1-yl-1H-1,4-diazepine
SMILESC1=CNC(N2CCCCC2)=CN=C1
InChIInChI=1S/C10H15N3/c1-2-7-13(8-3-1)10-9-11-5-4-6-12-10/h4-6,9,12H,1-3,7-8H2
InChIKeyYSJJGPCKGKJJHA-UHFFFAOYSA-N
XLogP1.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-1H-1,4-diazepine?
The IUPAC name of 2-piperidin-1-yl-1H-1,4-diazepine (CID 18329617) is 2-piperidin-1-yl-1H-1,4-diazepine.
What is the SMILES notation for 2-piperidin-1-yl-1H-1,4-diazepine?
The canonical SMILES for 2-piperidin-1-yl-1H-1,4-diazepine is C1=CNC(N2CCCCC2)=CN=C1.
What is the InChIKey of 2-piperidin-1-yl-1H-1,4-diazepine?
The InChIKey is YSJJGPCKGKJJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-7-13(8-3-1)10-9-11-5-4-6-12-10/h4-6,9,12H,1-3,7-8H2.
What are the key properties of 2-piperidin-1-yl-1H-1,4-diazepine?
2-piperidin-1-yl-1H-1,4-diazepine has a molecular weight of 177.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-1H-1,4-diazepine is sourced from PubChem (CID 18329617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).