2-(4-methylpiperazin-1-yl)azepane

C11H23N3 — CID 57005564

IUPAC2-(4-methylpiperazin-1-yl)azepane
SMILESCN1CCN(C2CCCCCN2)CC1
InChIInChI=1S/C11H23N3/c1-13-7-9-14(10-8-13)11-5-3-2-4-6-12-11/h11-12H,2-10H2,1H3
InChIKeyYNXFXVHRYCXOQF-UHFFFAOYSA-N
MW197.33 g/mol
LogP0.72
Rot. Bonds1

About 2-(4-methylpiperazin-1-yl)azepane

2-(4-methylpiperazin-1-yl)azepane (PubChem CID 57005564) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)azepane.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)azepane
PubChem CID57005564
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC Name2-(4-methylpiperazin-1-yl)azepane
SMILESCN1CCN(C2CCCCCN2)CC1
InChIInChI=1S/C11H23N3/c1-13-7-9-14(10-8-13)11-5-3-2-4-6-12-11/h11-12H,2-10H2,1H3
InChIKeyYNXFXVHRYCXOQF-UHFFFAOYSA-N
XLogP0.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2S)-pyrrolidin-2-yl]piperazine
CID 129370918
4-(azocan-2-yl)morpholine
CID 70413197
1,2-dimethyl-4-piperidin-2-ylpiperazine
CID 112546464
2,4-dimethyl-1-piperidin-2-ylpiperazine
CID 112546461
1,2-dimethyl-4-piperidin-2-yl-1,4-diazepane
CID 115102287
1-[(2S)-piperidin-2-yl]azetidin-3-ol
CID 91523423
2-(hydroxymethyl)-5-[[(1-methylpiperidin-4-yl)amino]methyl]-4-(4-piperidin-2-ylpiperazin-1-yl)oxolan-3-ol
CID 163141898
2-(4-methylpiperazin-1-yl)cyclododecan-1-amine
CID 16790088
1-(5-ethylpiperidin-2-yl)-4-methylpiperazine
CID 123136191
3,4-dimethyl-1-pyrrolidin-2-yl-1,4-diazepan-5-one
CID 112546665
2-methyl-1-propan-2-yl-4-pyrrolidin-2-ylpiperazine
CID 112546685
4-piperidin-2-ylmorpholin-2-one
CID 112546370

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)azepane?
The IUPAC name of 2-(4-methylpiperazin-1-yl)azepane (CID 57005564) is 2-(4-methylpiperazin-1-yl)azepane.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)azepane?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)azepane is CN1CCN(C2CCCCCN2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)azepane?
The InChIKey is YNXFXVHRYCXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-13-7-9-14(10-8-13)11-5-3-2-4-6-12-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-(4-methylpiperazin-1-yl)azepane?
2-(4-methylpiperazin-1-yl)azepane has a molecular weight of 197.33 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)azepane is sourced from PubChem (CID 57005564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).