4-(4-propan-2-ylpiperazin-1-yl)azepane

C13H27N3 — CID 63903106

IUPAC4-(4-propan-2-ylpiperazin-1-yl)azepane
SMILESCC(C)N1CCN(C2CCCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-12(2)15-8-10-16(11-9-15)13-4-3-6-14-7-5-13/h12-14H,3-11H2,1-2H3
InChIKeyJOLHIIWTNZUJFO-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.15
Rot. Bonds2

About 4-(4-propan-2-ylpiperazin-1-yl)azepane

4-(4-propan-2-ylpiperazin-1-yl)azepane (PubChem CID 63903106) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazin-1-yl)azepane.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazin-1-yl)azepane
PubChem CID63903106
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name4-(4-propan-2-ylpiperazin-1-yl)azepane
SMILESCC(C)N1CCN(C2CCCNCC2)CC1
InChIInChI=1S/C13H27N3/c1-12(2)15-8-10-16(11-9-15)13-4-3-6-14-7-5-13/h12-14H,3-11H2,1-2H3
InChIKeyJOLHIIWTNZUJFO-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-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
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CID 126892268
1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 156836053
4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
CID 66203370
7,7-dideuterio-1-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
CID 118887208
1-(oxocan-4-yl)-4-propan-2-ylpiperazine
CID 146561161
1-[1-(azepan-4-yl)pyrrolidin-3-yl]ethanol
CID 103983594
1,4-diazabicyclo[6.2.0]decane
CID 118210284
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-piperidin-4-yl-1,4-diazepane
CID 53414008
ethane;1-propan-2-yl-4-(4-propan-2-ylcyclohexyl)piperazine
CID 171508742

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)azepane?
The IUPAC name of 4-(4-propan-2-ylpiperazin-1-yl)azepane (CID 63903106) is 4-(4-propan-2-ylpiperazin-1-yl)azepane.
What is the SMILES notation for 4-(4-propan-2-ylpiperazin-1-yl)azepane?
The canonical SMILES for 4-(4-propan-2-ylpiperazin-1-yl)azepane is CC(C)N1CCN(C2CCCNCC2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazin-1-yl)azepane?
The InChIKey is JOLHIIWTNZUJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-12(2)15-8-10-16(11-9-15)13-4-3-6-14-7-5-13/h12-14H,3-11H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperazin-1-yl)azepane?
4-(4-propan-2-ylpiperazin-1-yl)azepane 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 4-(4-propan-2-ylpiperazin-1-yl)azepane is sourced from PubChem (CID 63903106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).