2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane

C13H27N3 — CID 82242419

IUPAC2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
SMILESCC1CNCCCN1CCN1CCCCC1
InChIInChI=1S/C13H27N3/c1-13-12-14-6-5-9-16(13)11-10-15-7-3-2-4-8-15/h13-14H,2-12H2,1H3
InChIKeyPUCZDALJGRMWJJ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane

2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane (PubChem CID 82242419) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
PubChem CID82242419
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
SMILESCC1CNCCCN1CCN1CCCCC1
InChIInChI=1S/C13H27N3/c1-13-12-14-6-5-9-16(13)11-10-15-7-3-2-4-8-15/h13-14H,2-12H2,1H3
InChIKeyPUCZDALJGRMWJJ-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
The IUPAC name of 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane (CID 82242419) is 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane.
What is the SMILES notation for 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
The canonical SMILES for 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane is CC1CNCCCN1CCN1CCCCC1.
What is the InChIKey of 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
The InChIKey is PUCZDALJGRMWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13-12-14-6-5-9-16(13)11-10-15-7-3-2-4-8-15/h13-14H,2-12H2,1H3.
What are the key properties of 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane is sourced from PubChem (CID 82242419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).