6-methyl-2-piperidin-1-yl-4H-1,3-diazepine

C11H17N3 — CID 145380318

IUPAC6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
SMILESCC1=CCN=C(N2CCCCC2)N=C1
InChIInChI=1S/C11H17N3/c1-10-5-6-12-11(13-9-10)14-7-3-2-4-8-14/h5,9H,2-4,6-8H2,1H3
InChIKeyIEUQVOIMCXTBKN-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.86
Rot. Bonds

About 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine

6-methyl-2-piperidin-1-yl-4H-1,3-diazepine (PubChem CID 145380318) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine.

Molecular Properties

Compound Name6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
PubChem CID145380318
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
SMILESCC1=CCN=C(N2CCCCC2)N=C1
InChIInChI=1S/C11H17N3/c1-10-5-6-12-11(13-9-10)14-7-3-2-4-8-14/h5,9H,2-4,6-8H2,1H3
InChIKeyIEUQVOIMCXTBKN-UHFFFAOYSA-N
XLogP1.86
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-(2,3,4,5-tetramethylpiperazin-1-yl)-4H-1,3-diazepine
CID 68085686
ethane;(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093197
methanol;6-methyl-2-piperidin-1-yl-4H-1,3-diazepine
CID 145380317
N-ethyl-3-methyl-1-piperidin-1-ylbut-2-en-1-imine
CID 170591643
(Z,Z)-2-methyl-N-(1-piperidin-1-ylethyl)but-2-en-1-imine
CID 143093198
(NZ)-N'-methyl-N-prop-2-enylidenepiperidine-1-carboximidamide
CID 171847589

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
The IUPAC name of 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine (CID 145380318) is 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine.
What is the SMILES notation for 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
The canonical SMILES for 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine is CC1=CCN=C(N2CCCCC2)N=C1.
What is the InChIKey of 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
The InChIKey is IEUQVOIMCXTBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-5-6-12-11(13-9-10)14-7-3-2-4-8-14/h5,9H,2-4,6-8H2,1H3.
What are the key properties of 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine?
6-methyl-2-piperidin-1-yl-4H-1,3-diazepine has a molecular weight of 191.28 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-piperidin-1-yl-4H-1,3-diazepine is sourced from PubChem (CID 145380318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).