4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane

C16H32N4 — CID 66203370

IUPAC4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
SMILESCC(C)N1CCCC(N2CC(N3CCNCC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-14(2)18-8-3-4-15(5-9-18)20-12-16(13-20)19-10-6-17-7-11-19/h14-17H,3-13H2,1-2H3
InChIKeyWRVMCMUDYJZXJO-UHFFFAOYSA-N
MW280.46 g/mol
LogP0.84
Rot. Bonds3

About 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane

4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane (PubChem CID 66203370) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane.

Molecular Properties

Compound Name4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
PubChem CID66203370
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane
SMILESCC(C)N1CCCC(N2CC(N3CCNCC3)C2)CC1
InChIInChI=1S/C16H32N4/c1-14(2)18-8-3-4-15(5-9-18)20-12-16(13-20)19-10-6-17-7-11-19/h14-17H,3-13H2,1-2H3
InChIKeyWRVMCMUDYJZXJO-UHFFFAOYSA-N
XLogP0.84
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 156836053
3-(1-propan-2-ylazepan-4-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 115313913
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
7,7-dideuterio-1-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepane
CID 118887208
4-(4-propan-2-ylpiperazin-1-yl)azepane
CID 63903106
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
1-cyclopentylpiperazine;ethane
CID 143559542
1,4-diazabicyclo[6.2.0]decane
CID 118210284
1-propan-2-yl-4-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]azepane
CID 177124057
N-propan-2-yl-1-(1-propan-2-ylpiperidin-4-yl)azetidin-3-amine
CID 170184824
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
1-cycloheptylpiperazine;methane
CID 143122535

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane?
The IUPAC name of 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane (CID 66203370) is 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane.
What is the SMILES notation for 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane?
The canonical SMILES for 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane is CC(C)N1CCCC(N2CC(N3CCNCC3)C2)CC1.
What is the InChIKey of 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane?
The InChIKey is WRVMCMUDYJZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-14(2)18-8-3-4-15(5-9-18)20-12-16(13-20)19-10-6-17-7-11-19/h14-17H,3-13H2,1-2H3.
What are the key properties of 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane?
4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane has a molecular weight of 280.46 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperazin-1-ylazetidin-1-yl)-1-propan-2-ylazepane is sourced from PubChem (CID 66203370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).