1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine

C18H30N2O — CID 64839744

IUPAC1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCCCCOCCN1CC(C)(C)NCC1c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-5-12-21-13-11-20-15-18(2,3)19-14-17(20)16-9-7-6-8-10-16/h6-10,17,19H,4-5,11-15H2,1-3H3
InChIKeyNSCVZPMKCVXHHM-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.23
Rot. Bonds7

About 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine

1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine (PubChem CID 64839744) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
PubChem CID64839744
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
SMILESCCCCOCCN1CC(C)(C)NCC1c1ccccc1
InChIInChI=1S/C18H30N2O/c1-4-5-12-21-13-11-20-15-18(2,3)19-14-17(20)16-9-7-6-8-10-16/h6-10,17,19H,4-5,11-15H2,1-3H3
InChIKeyNSCVZPMKCVXHHM-UHFFFAOYSA-N
XLogP3.23
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine (CID 64839744) is 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine is CCCCOCCN1CC(C)(C)NCC1c1ccccc1.
What is the InChIKey of 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine?
The InChIKey is NSCVZPMKCVXHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-5-12-21-13-11-20-15-18(2,3)19-14-17(20)16-9-7-6-8-10-16/h6-10,17,19H,4-5,11-15H2,1-3H3.
What are the key properties of 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine?
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine has a molecular weight of 290.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).