1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane

C15H31N3 — CID 63161230

IUPAC1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane
SMILESCCC1(C)CCN(CCN2CCCNCC2)CC1
InChIInChI=1S/C15H31N3/c1-3-15(2)5-10-18(11-6-15)14-13-17-9-4-7-16-8-12-17/h16H,3-14H2,1-2H3
InChIKeyHBCQHVFBZGPLTK-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds4

About 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane

1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane (PubChem CID 63161230) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane.

Molecular Properties

Compound Name1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane
PubChem CID63161230
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane
SMILESCCC1(C)CCN(CCN2CCCNCC2)CC1
InChIInChI=1S/C15H31N3/c1-3-15(2)5-10-18(11-6-15)14-13-17-9-4-7-16-8-12-17/h16H,3-14H2,1-2H3
InChIKeyHBCQHVFBZGPLTK-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyrrolidin-1-ylethyl)-1,4-diazepane
CID 2772404
1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
3-(4-ethyl-4-methylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981416
4-ethyl-4-methyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 55159111
4-[2-(1,4-diazepan-1-yl)ethyl]-3,3-dimethylmorpholine
CID 62832586
1-butyl-1,4-diazepane;ethane
CID 168976024
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
4-ethyl-1-[(3-ethylpiperidin-3-yl)methyl]-4-methylpiperidine
CID 63161620
4-ethyl-4-methylazepane
CID 55299291
2-[4-[2-(1,4-diazepan-1-yl)ethyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62887962
4-ethyl-4-methyl-1-(2-piperidin-2-ylethyl)piperidine
CID 55166220
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane?
The IUPAC name of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane (CID 63161230) is 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane.
What is the SMILES notation for 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane?
The canonical SMILES for 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane is CCC1(C)CCN(CCN2CCCNCC2)CC1.
What is the InChIKey of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane?
The InChIKey is HBCQHVFBZGPLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-3-15(2)5-10-18(11-6-15)14-13-17-9-4-7-16-8-12-17/h16H,3-14H2,1-2H3.
What are the key properties of 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane?
1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane has a molecular weight of 253.43 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-4-methylpiperidin-1-yl)ethyl]-1,4-diazepane is sourced from PubChem (CID 63161230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).