2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

C18H21N3 — CID 14835672

IUPAC2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESc1ccc2c(c1)CCc1ncccc1C2N1CCNCC1
InChIInChI=1S/C18H21N3/c1-2-5-15-14(4-1)7-8-17-16(6-3-9-20-17)18(15)21-12-10-19-11-13-21/h1-6,9,18-19H,7-8,10-13H2
InChIKeySTMAEVJKHHUHPN-UHFFFAOYSA-N
MW279.39 g/mol
LogP2.17
Rot. Bonds1

About 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene

2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (PubChem CID 14835672) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.

Molecular Properties

Compound Name2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
PubChem CID14835672
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
SMILESc1ccc2c(c1)CCc1ncccc1C2N1CCNCC1
InChIInChI=1S/C18H21N3/c1-2-5-15-14(4-1)7-8-17-16(6-3-9-20-17)18(15)21-12-10-19-11-13-21/h1-6,9,18-19H,7-8,10-13H2
InChIKeySTMAEVJKHHUHPN-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene;trihydrochloride
CID 70361738
4-[(E)-3-[4-(7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)piperazin-1-yl]prop-1-enyl]phenol
CID 14835769
1-[(1S)-2,3-dihydro-1H-inden-1-yl]piperazine
CID 30634298
1-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 91044952
(13aS)-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-g][1,6]naphthyridine
CID 125495617
2-[4-[3-(8-nitronaphthalen-1-yl)prop-2-enyl]piperazin-1-yl]-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene
CID 54376553
1-[(1R,2S)-1-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 67828813
1-[4-(4-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-yl)piperazin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 142002294
2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
CID 10467350
[1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidin-4-yl]methanamine
CID 14950886
1-phenyl-8-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 10137134
1,3,8-triazatetracyclo[8.8.0.02,7.011,16]octadeca-2(7),3,5,11,13,15-hexaen-9-one
CID 79294766

Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The IUPAC name of 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene (CID 14835672) is 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene.
What is the SMILES notation for 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The canonical SMILES for 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is c1ccc2c(c1)CCc1ncccc1C2N1CCNCC1.
What is the InChIKey of 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
The InChIKey is STMAEVJKHHUHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-5-15-14(4-1)7-8-17-16(6-3-9-20-17)18(15)21-12-10-19-11-13-21/h1-6,9,18-19H,7-8,10-13H2.
What are the key properties of 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene?
2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene has a molecular weight of 279.39 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene is sourced from PubChem (CID 14835672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).