(3R)-1-methyl-3-phenyl-1,4-diazepane

C12H18N2 — CID 94983002

IUPAC(3R)-1-methyl-3-phenyl-1,4-diazepane
SMILESCN1CCCN[C@H](c2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-14-9-5-8-13-12(10-14)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyWXGAOXOYHDIOCF-LBPRGKRZSA-N
MW190.29 g/mol
LogP1.65
Rot. Bonds1

About (3R)-1-methyl-3-phenyl-1,4-diazepane

(3R)-1-methyl-3-phenyl-1,4-diazepane (PubChem CID 94983002) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3R)-1-methyl-3-phenyl-1,4-diazepane.

Molecular Properties

Compound Name(3R)-1-methyl-3-phenyl-1,4-diazepane
PubChem CID94983002
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3R)-1-methyl-3-phenyl-1,4-diazepane
SMILESCN1CCCN[C@H](c2ccccc2)C1
InChIInChI=1S/C12H18N2/c1-14-9-5-8-13-12(10-14)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-/m0/s1
InChIKeyWXGAOXOYHDIOCF-LBPRGKRZSA-N
XLogP1.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1-methylpiperidin-4-yl)methyl]-3-phenyl-1,4-diazepane
CID 64948938
1,3-diphenyl-1,4-diazepane
CID 64944093
4-(4-methylpiperazin-2-yl)aniline
CID 66617407
1-(2,2-dimethylpropyl)-3-phenyl-1,4-diazepane
CID 64944001
1-(2-methylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64945081
1-(1-methylpyrazol-4-yl)-3-phenyl-1,4-diazepane
CID 64943935
1-(2-methylsulfonylethyl)-3-phenyl-1,4-diazepane
CID 64857272
1-(cyclohexylmethyl)-3-phenyl-1,4-diazepane
CID 64857077
1-chloro-3-phenylpiperazine
CID 18428014
1-(1-cyclopropylbutan-2-yl)-3-phenyl-1,4-diazepane
CID 64949626
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
1-(4-methylpentan-2-yl)-3-phenyl-1,4-diazepane
CID 64945308

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-phenyl-1,4-diazepane?
The IUPAC name of (3R)-1-methyl-3-phenyl-1,4-diazepane (CID 94983002) is (3R)-1-methyl-3-phenyl-1,4-diazepane.
What is the SMILES notation for (3R)-1-methyl-3-phenyl-1,4-diazepane?
The canonical SMILES for (3R)-1-methyl-3-phenyl-1,4-diazepane is CN1CCCN[C@H](c2ccccc2)C1.
What is the InChIKey of (3R)-1-methyl-3-phenyl-1,4-diazepane?
The InChIKey is WXGAOXOYHDIOCF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H18N2/c1-14-9-5-8-13-12(10-14)11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-1-methyl-3-phenyl-1,4-diazepane?
(3R)-1-methyl-3-phenyl-1,4-diazepane has a molecular weight of 190.29 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-phenyl-1,4-diazepane is sourced from PubChem (CID 94983002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).