1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine

C22H24N2O — CID 3716121

IUPAC1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1
InChIInChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
InChIKeyMNVDCQLMHFFYCU-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.12
Rot. Bonds4

About 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine

1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine (PubChem CID 3716121) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine
PubChem CID3716121
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1
InChIInChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3
InChIKeyMNVDCQLMHFFYCU-UHFFFAOYSA-N
XLogP4.12
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine (CID 3716121) is 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2ccc3cccccc2-3)CC1.
What is the InChIKey of 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine?
The InChIKey is MNVDCQLMHFFYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-25-22-10-6-5-9-21(22)24-15-13-23(14-16-24)17-19-12-11-18-7-3-2-4-8-20(18)19/h2-12H,13-17H2,1H3.
What are the key properties of 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine?
1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine has a molecular weight of 332.45 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azulen-1-ylmethyl)-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 3716121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).