(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine

C11H20N4 — CID 163982230

IUPAC(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine
SMILESCC1=CN[C@@H](C)N=C(N2CCNCC2)C1
InChIInChI=1S/C11H20N4/c1-9-7-11(14-10(2)13-8-9)15-5-3-12-4-6-15/h8,10,12-13H,3-7H2,1-2H3/t10-/m1/s1
InChIKeySZKIRMNFVCRLGC-SNVBAGLBSA-N
MW208.31 g/mol
LogP0.53
Rot. Bonds

About (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine

(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine (PubChem CID 163982230) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine.

Molecular Properties

Compound Name(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine
PubChem CID163982230
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine
SMILESCC1=CN[C@@H](C)N=C(N2CCNCC2)C1
InChIInChI=1S/C11H20N4/c1-9-7-11(14-10(2)13-8-9)15-5-3-12-4-6-15/h8,10,12-13H,3-7H2,1-2H3/t10-/m1/s1
InChIKeySZKIRMNFVCRLGC-SNVBAGLBSA-N
XLogP0.53
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(3-methylbut-3-enyl)piperazin-2-imine
CID 123148170
N-(2-methylprop-1-enyl)-1-piperazin-1-ylethanimine
CID 123357654
1-(5-Methyl-3,4-dihydropyridin-2-yl)piperazine
CID 156059049
ethane;N'-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]prop-2-enimidamide
CID 166120407
1-(4-methyl-3H-pyrrol-2-yl)piperazine
CID 167540012
N'-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]prop-2-enimidamide
CID 166120408

Frequently Asked Questions

What is the IUPAC name of (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine?
The IUPAC name of (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine (CID 163982230) is (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine.
What is the SMILES notation for (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine?
The canonical SMILES for (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine is CC1=CN[C@@H](C)N=C(N2CCNCC2)C1.
What is the InChIKey of (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine?
The InChIKey is SZKIRMNFVCRLGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N4/c1-9-7-11(14-10(2)13-8-9)15-5-3-12-4-6-15/h8,10,12-13H,3-7H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine?
(2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine has a molecular weight of 208.31 g/mol, XLogP of 0.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,6-dimethyl-4-piperazin-1-yl-2,5-dihydro-1H-1,3-diazepine is sourced from PubChem (CID 163982230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).