3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane

C16H33N3 — CID 64944448

IUPAC3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane
SMILESCCCN1CCC(N2CCCNC(C)(CC)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-10-18-12-7-15(8-13-18)19-11-6-9-17-16(3,5-2)14-19/h15,17H,4-14H2,1-3H3
InChIKeyJUWANQHCOVJXJI-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.32
Rot. Bonds4

About 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane

3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane (PubChem CID 64944448) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane
PubChem CID64944448
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane
SMILESCCCN1CCC(N2CCCNC(C)(CC)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-10-18-12-7-15(8-13-18)19-11-6-9-17-16(3,5-2)14-19/h15,17H,4-14H2,1-3H3
InChIKeyJUWANQHCOVJXJI-UHFFFAOYSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-diethyloxan-4-yl)-3-ethyl-3-methyl-1,4-diazepane
CID 83039643
1-(3,3-dimethylcyclopentyl)-3-ethyl-3-methylpiperazine
CID 114551192
3-methyl-1-(1-propylazepan-4-yl)pyrrolidine-3-carboxylic acid
CID 65076980
3-ethyl-3-methyl-1-[2-(1-methylpiperidin-4-yl)ethyl]-1,4-diazepane
CID 114516842
1-(2-butoxyethyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64870534
1-cycloheptyl-3,3-dimethyl-1,4-diazepane
CID 64944315
3-ethyl-3-methyl-1-(2-propoxyethyl)-1,4-diazepane
CID 106458861
(1S,5S)-1,3,3-trimethyl-6-(1-propylpiperidin-4-yl)-6-azabicyclo[3.2.1]octane
CID 6962700
10-(1-methylpiperidin-4-yl)-6,10-diazaspiro[4.6]undecane
CID 64943929
1-(3,3-dimethylbutyl)-3-ethyl-3-methyl-1,4-diazepane
CID 64871131
1-(2,2-diethyloxan-4-yl)-3,3-dimethyl-1,4-diazepane
CID 83039236
3-ethyl-3-methyl-1-(2-methylcyclopentyl)piperazine
CID 64952203

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane?
The IUPAC name of 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane (CID 64944448) is 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane?
The canonical SMILES for 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane is CCCN1CCC(N2CCCNC(C)(CC)C2)CC1.
What is the InChIKey of 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane?
The InChIKey is JUWANQHCOVJXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-10-18-12-7-15(8-13-18)19-11-6-9-17-16(3,5-2)14-19/h15,17H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane?
3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane has a molecular weight of 267.46 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyl-1-(1-propylpiperidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 64944448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).