1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine

C24H24N2O — CID 71461481

IUPAC1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESC#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2
InChIInChI=1S/C24H24N2O/c1-3-19-17-20(22-10-6-4-5-9-21(19)22)18-25-13-15-26(16-14-25)23-11-7-8-12-24(23)27-2/h1,4-12,17H,13-16,18H2,2H3
InChIKeyHNCOLMVXXZHGHT-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.10
Rot. Bonds4

About 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 71461481) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID71461481
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC Name1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESC#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2
InChIInChI=1S/C24H24N2O/c1-3-19-17-20(22-10-6-4-5-9-21(19)22)18-25-13-15-26(16-14-25)23-11-7-8-12-24(23)27-2/h1,4-12,17H,13-16,18H2,2H3
InChIKeyHNCOLMVXXZHGHT-UHFFFAOYSA-N
XLogP4.10
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]phenyl]methyl]isoindole-1,3-dione
CID 139959099
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-(2-methoxyphenyl)-4-[(5-phenyl-1H-pyrrol-2-yl)methyl]piperazine
CID 14198545
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-[(3-fluorophenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 792533
6-chloro-4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylchromen-2-one
CID 2078040
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
(4-benzylpiperazin-1-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 108989464

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 71461481) is 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine is C#Cc1cc(CN2CCN(c3ccccc3OC)CC2)c2cccccc1-2.
What is the InChIKey of 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is HNCOLMVXXZHGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-3-19-17-20(22-10-6-4-5-9-21(19)22)18-25-13-15-26(16-14-25)23-11-7-8-12-24(23)27-2/h1,4-12,17H,13-16,18H2,2H3.
What are the key properties of 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 356.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethynylazulen-1-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 71461481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).