1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane

C13H27N3 — CID 64942661

IUPAC1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
SMILESCCN1CCCC(N2CCCNC(C)C2)C1
InChIInChI=1S/C13H27N3/c1-3-15-8-4-6-13(11-15)16-9-5-7-14-12(2)10-16/h12-14H,3-11H2,1-2H3
InChIKeyWRWHKMFLUOVUOQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds2

About 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane

1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane (PubChem CID 64942661) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
PubChem CID64942661
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane
SMILESCCN1CCCC(N2CCCNC(C)C2)C1
InChIInChI=1S/C13H27N3/c1-3-15-8-4-6-13(11-15)16-9-5-7-14-12(2)10-16/h12-14H,3-11H2,1-2H3
InChIKeyWRWHKMFLUOVUOQ-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylpiperidin-3-yl)-4-methyl-1,5-diazocane
CID 55031716
1-(1-ethylpiperidin-3-yl)piperazine
CID 52992040
(3R)-1-ethyl-3-(4-piperidin-1-ylpiperidin-1-yl)piperidine
CID 39801895
1-(1-ethylpiperidin-3-yl)pyrrolidin-3-amine
CID 61479919
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
4-(3-methyl-1,4-diazepan-1-yl)thiane 1,1-dioxide
CID 64943551
1-(1-ethylpiperidin-3-yl)-3-methyl-1,3-azaboretidine
CID 174064097
(3R)-1-cycloheptyl-3-methylpiperazine
CID 95437868
(3R)-1-ethyl-3-[(3S)-3-(3-methoxypropyl)piperidin-1-yl]piperidine
CID 39733025
1-(1-ethylazetidin-3-yl)-5-methyl-1,4-diazepane
CID 131160325
1-[(1-ethylpiperidin-2-yl)methyl]-3-methyl-1,4-diazepane
CID 115102113
2-ethyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 112734151

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane (CID 64942661) is 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane is CCN1CCCC(N2CCCNC(C)C2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane?
The InChIKey is WRWHKMFLUOVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-3-15-8-4-6-13(11-15)16-9-5-7-14-12(2)10-16/h12-14H,3-11H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane?
1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-3-methyl-1,4-diazepane is sourced from PubChem (CID 64942661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).