1-piperidin-4-yl-1,3-diazepine

C10H15N3 — CID 91502205

IUPAC1-piperidin-4-yl-1,3-diazepine
SMILESC1=CN=CN(C2CCNCC2)C=C1
InChIInChI=1S/C10H15N3/c1-2-8-13(9-12-5-1)10-3-6-11-7-4-10/h1-2,5,8-11H,3-4,6-7H2
InChIKeyVHDZVNGTIFPYQL-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.11
Rot. Bonds1

About 1-piperidin-4-yl-1,3-diazepine

1-piperidin-4-yl-1,3-diazepine (PubChem CID 91502205) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-piperidin-4-yl-1,3-diazepine.

Molecular Properties

Compound Name1-piperidin-4-yl-1,3-diazepine
PubChem CID91502205
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name1-piperidin-4-yl-1,3-diazepine
SMILESC1=CN=CN(C2CCNCC2)C=C1
InChIInChI=1S/C10H15N3/c1-2-8-13(9-12-5-1)10-3-6-11-7-4-10/h1-2,5,8-11H,3-4,6-7H2
InChIKeyVHDZVNGTIFPYQL-UHFFFAOYSA-N
XLogP1.11
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 ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-1,3-diazepine?
The IUPAC name of 1-piperidin-4-yl-1,3-diazepine (CID 91502205) is 1-piperidin-4-yl-1,3-diazepine.
What is the SMILES notation for 1-piperidin-4-yl-1,3-diazepine?
The canonical SMILES for 1-piperidin-4-yl-1,3-diazepine is C1=CN=CN(C2CCNCC2)C=C1.
What is the InChIKey of 1-piperidin-4-yl-1,3-diazepine?
The InChIKey is VHDZVNGTIFPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-2-8-13(9-12-5-1)10-3-6-11-7-4-10/h1-2,5,8-11H,3-4,6-7H2.
What are the key properties of 1-piperidin-4-yl-1,3-diazepine?
1-piperidin-4-yl-1,3-diazepine has a molecular weight of 177.25 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-1,3-diazepine is sourced from PubChem (CID 91502205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).