1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane

C16H33N3 — CID 114506173

IUPAC1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2CCN(C)CC2C)CCCN1
InChIInChI=1S/C16H33N3/c1-13(2)10-15-12-19(8-5-7-17-15)16-6-9-18(4)11-14(16)3/h13-17H,5-12H2,1-4H3
InChIKeyLTYKUAJFPMDCDC-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds3

About 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane

1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane (PubChem CID 114506173) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
PubChem CID114506173
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
SMILESCC(C)CC1CN(C2CCN(C)CC2C)CCCN1
InChIInChI=1S/C16H33N3/c1-13(2)10-15-12-19(8-5-7-17-15)16-6-9-18(4)11-14(16)3/h13-17H,5-12H2,1-4H3
InChIKeyLTYKUAJFPMDCDC-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-3-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64944792
3-[3-(2-methylpropyl)-1,4-diazepan-1-yl]-1-azabicyclo[2.2.2]octane
CID 64944670
1-(4-methylcyclohexyl)-3-(2-methylpropyl)-1,4-diazepane
CID 64942540
1-(2,3-dimethylcyclohexyl)-3-(2-methylpropyl)piperazine
CID 64924428
1-cyclohexyl-3-(2-methylpropyl)piperazine
CID 64924419
1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
CID 114506159
1-hexan-3-yl-3-(2-methylpropyl)-1,4-diazepane
CID 64950940
1-(3-methylpentan-2-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 64943811
3-(1,3-dimethylpiperidin-4-yl)-5-(2-methylpropyl)imidazolidin-4-one
CID 114507163
1-(1-cyclopropylpropan-2-yl)-3-(2-methylpropyl)piperazine
CID 64951829
1-[(1-cyclopropylcyclopropyl)methyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114095560
1-(3-fluoropropyl)-3-(2-methylpropyl)-1,4-diazepane
CID 81113598

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane (CID 114506173) is 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane is CC(C)CC1CN(C2CCN(C)CC2C)CCCN1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane?
The InChIKey is LTYKUAJFPMDCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-13(2)10-15-12-19(8-5-7-17-15)16-6-9-18(4)11-14(16)3/h13-17H,5-12H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane?
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane has a molecular weight of 267.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane is sourced from PubChem (CID 114506173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).