5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane

C13H27N3 — CID 82242425

IUPAC5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
SMILESCC1CCN(CCN2CCCCC2)CCN1
InChIInChI=1S/C13H27N3/c1-13-5-9-16(10-6-14-13)12-11-15-7-3-2-4-8-15/h13-14H,2-12H2,1H3
InChIKeyKOIYSSHYHFNZRV-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.16
Rot. Bonds3

About 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane

5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane (PubChem CID 82242425) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
PubChem CID82242425
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
SMILESCC1CCN(CCN2CCCCC2)CCN1
InChIInChI=1S/C13H27N3/c1-13-5-9-16(10-6-14-13)12-11-15-7-3-2-4-8-15/h13-14H,2-12H2,1H3
InChIKeyKOIYSSHYHFNZRV-UHFFFAOYSA-N
XLogP1.16
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 65448835
5-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115521969
4-methyl-1-(4,4,4-trifluorobutyl)-1,5-diazocane
CID 115521962
1-(2-cyclopentyloxyethyl)-4-methyl-1,5-diazocane
CID 63826366
1-(2-piperazin-1-ylethyl)azocane
CID 60851971
1-(2-piperidin-1-ylethyl)-4-pyrrolidin-2-ylpiperidine
CID 63259095
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane
CID 107165073
1-[2-(3-methylpyrrolidin-2-yl)ethyl]piperidine
CID 5042776
4-methyl-1-[(4-methylcyclohexyl)methyl]-1,5-diazocane
CID 63243515
ethane;1-[2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 153398628
3-methyl-1-(2-piperidin-1-ylethyl)piperidin-4-ol
CID 114502746

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
The IUPAC name of 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane (CID 82242425) is 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane.
What is the SMILES notation for 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
The canonical SMILES for 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane is CC1CCN(CCN2CCCCC2)CCN1.
What is the InChIKey of 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
The InChIKey is KOIYSSHYHFNZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-13-5-9-16(10-6-14-13)12-11-15-7-3-2-4-8-15/h13-14H,2-12H2,1H3.
What are the key properties of 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane?
5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane is sourced from PubChem (CID 82242425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).