1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane

C15H26N4 — CID 118422487

IUPAC1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane
SMILESC1=CNC(N2CCCN(C3CCNCC3)CC2)C=C1
InChIInChI=1S/C15H26N4/c1-2-7-17-15(4-1)19-11-3-10-18(12-13-19)14-5-8-16-9-6-14/h1-2,4,7,14-17H,3,5-6,8-13H2
InChIKeyAWIDXYCHJFJZRG-UHFFFAOYSA-N
MW262.40 g/mol
LogP0.75
Rot. Bonds2

About 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane

1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane (PubChem CID 118422487) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane
PubChem CID118422487
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane
SMILESC1=CNC(N2CCCN(C3CCNCC3)CC2)C=C1
InChIInChI=1S/C15H26N4/c1-2-7-17-15(4-1)19-11-3-10-18(12-13-19)14-5-8-16-9-6-14/h1-2,4,7,14-17H,3,5-6,8-13H2
InChIKeyAWIDXYCHJFJZRG-UHFFFAOYSA-N
XLogP0.75
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane?
The IUPAC name of 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane (CID 118422487) is 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane.
What is the SMILES notation for 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane?
The canonical SMILES for 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane is C1=CNC(N2CCCN(C3CCNCC3)CC2)C=C1.
What is the InChIKey of 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane?
The InChIKey is AWIDXYCHJFJZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-2-7-17-15(4-1)19-11-3-10-18(12-13-19)14-5-8-16-9-6-14/h1-2,4,7,14-17H,3,5-6,8-13H2.
What are the key properties of 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane?
1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane has a molecular weight of 262.40 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-2-yl)-4-piperidin-4-yl-1,4-diazepane is sourced from PubChem (CID 118422487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).