1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane

C16H33N3 — CID 114506159

IUPAC1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
SMILESCCC1(CC)CN(C2CCN(C)CC2C)CCCN1
InChIInChI=1S/C16H33N3/c1-5-16(6-2)13-19(10-7-9-17-16)15-8-11-18(4)12-14(15)3/h14-15,17H,5-13H2,1-4H3
InChIKeyGCPZDBPWNGADPS-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.18
Rot. Bonds3

About 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane

1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane (PubChem CID 114506159) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
PubChem CID114506159
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane
SMILESCCC1(CC)CN(C2CCN(C)CC2C)CCCN1
InChIInChI=1S/C16H33N3/c1-5-16(6-2)13-19(10-7-9-17-16)15-8-11-18(4)12-14(15)3/h14-15,17H,5-13H2,1-4H3
InChIKeyGCPZDBPWNGADPS-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-diethyl-1-(2-methylcyclopentyl)-1,4-diazepane
CID 64949999
1-(3,3-diethyl-1,4-diazepan-1-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 64944847
1-(2,3-dimethylcyclohexyl)-3,3-diethylpiperazine
CID 64924229
1-(3,5-dimethylcyclohexyl)-3,3-diethyl-1,4-diazepane
CID 64951233
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methylpropyl)-1,4-diazepane
CID 114506173
3,3-diethyl-1-(3-methoxycyclobutyl)-1,4-diazepane
CID 114120464
1-(1,3-dimethylpiperidin-4-yl)-4,6-dimethyl-1,5-diazocane
CID 114505869
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]-1-methylpiperidine
CID 117271420
1-(1,3-dimethylpiperidin-4-yl)-4-ethyl-6-methyl-1,5-diazocane
CID 114505870
3-(3,3-diethylpiperazin-1-yl)-9-methyl-9-azabicyclo[3.3.1]nonane
CID 65471123
1-(1,3-dimethylpiperidin-4-yl)-6-methyl-1,4-diazepane
CID 114505872
3,3-diethyl-1-(3-methylbutyl)-1,4-diazepane
CID 64871531

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane?
The IUPAC name of 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane (CID 114506159) is 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane?
The canonical SMILES for 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane is CCC1(CC)CN(C2CCN(C)CC2C)CCCN1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane?
The InChIKey is GCPZDBPWNGADPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-16(6-2)13-19(10-7-9-17-16)15-8-11-18(4)12-14(15)3/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane?
1-(1,3-dimethylpiperidin-4-yl)-3,3-diethyl-1,4-diazepane has a molecular weight of 267.46 g/mol, XLogP of 2.18, 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)-3,3-diethyl-1,4-diazepane is sourced from PubChem (CID 114506159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).