1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine

C16H22N2O — CID 112548439

IUPAC1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
SMILESC#CCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h1,5-6,8-9H,4,7,10-14H2,2H3
InChIKeyPCXRJKYDOAQMRX-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.23
Rot. Bonds5

About 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine

1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine (PubChem CID 112548439) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
PubChem CID112548439
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
SMILESC#CCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H22N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h1,5-6,8-9H,4,7,10-14H2,2H3
InChIKeyPCXRJKYDOAQMRX-UHFFFAOYSA-N
XLogP2.23
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-prop-2-ynylpyrrole-2,5-diol
CID 91348674
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
1-ethynyl-4-(2-methoxyphenyl)piperazine
CID 67760707
8-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane
CID 91175369
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine (CID 112548439) is 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine is C#CCCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine?
The InChIKey is PCXRJKYDOAQMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h1,5-6,8-9H,4,7,10-14H2,2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine?
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine has a molecular weight of 258.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine is sourced from PubChem (CID 112548439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).