4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane

C24H37N3O — CID 14986829

IUPAC4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane
SMILESCOc1ccccc1N1CCN(CCCN2CC3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C24H37N3O/c1-28-24-6-3-2-5-23(24)26-11-9-25(10-12-26)7-4-8-27-18-21-14-19-13-20(15-21)17-22(27)16-19/h2-3,5-6,19-22H,4,7-18H2,1H3
InChIKeyUOSQIKDRAGIBSM-UHFFFAOYSA-N
MW383.58 g/mol
LogP3.72
Rot. Bonds6

About 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane

4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane (PubChem CID 14986829) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane.

Molecular Properties

Compound Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane
PubChem CID14986829
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane
SMILESCOc1ccccc1N1CCN(CCCN2CC3CC4CC(C3)CC2C4)CC1
InChIInChI=1S/C24H37N3O/c1-28-24-6-3-2-5-23(24)26-11-9-25(10-12-26)7-4-8-27-18-21-14-19-13-20(15-21)17-22(27)16-19/h2-3,5-6,19-22H,4,7-18H2,1H3
InChIKeyUOSQIKDRAGIBSM-UHFFFAOYSA-N
XLogP3.72
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane with MolForge

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 11575967
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
5-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-phenyl-1,3-oxazolidin-2-one
CID 19811491
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane?
The IUPAC name of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane (CID 14986829) is 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane.
What is the SMILES notation for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane?
The canonical SMILES for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane is COc1ccccc1N1CCN(CCCN2CC3CC4CC(C3)CC2C4)CC1.
What is the InChIKey of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane?
The InChIKey is UOSQIKDRAGIBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-28-24-6-3-2-5-23(24)26-11-9-25(10-12-26)7-4-8-27-18-21-14-19-13-20(15-21)17-22(27)16-19/h2-3,5-6,19-22H,4,7-18H2,1H3.
What are the key properties of 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane?
4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane has a molecular weight of 383.58 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-4-azatricyclo[4.3.1.13,8]undecane is sourced from PubChem (CID 14986829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).