1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine

C17H28N2 — CID 144727735

IUPAC1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
SMILESCCN1CCN(CC(C)(C)Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-4-18-10-12-19(13-11-18)15-17(2,3)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
InChIKeyFXMPJMNTGPNYQB-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.89
Rot. Bonds5

About 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine

1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine (PubChem CID 144727735) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine.

Molecular Properties

Compound Name1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
PubChem CID144727735
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine
SMILESCCN1CCN(CC(C)(C)Cc2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-4-18-10-12-19(13-11-18)15-17(2,3)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3
InChIKeyFXMPJMNTGPNYQB-UHFFFAOYSA-N
XLogP2.89
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine?
The IUPAC name of 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine (CID 144727735) is 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine.
What is the SMILES notation for 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine?
The canonical SMILES for 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine is CCN1CCN(CC(C)(C)Cc2ccccc2)CC1.
What is the InChIKey of 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine?
The InChIKey is FXMPJMNTGPNYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-18-10-12-19(13-11-18)15-17(2,3)14-16-8-6-5-7-9-16/h5-9H,4,10-15H2,1-3H3.
What are the key properties of 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine?
1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine has a molecular weight of 260.43 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-3-phenylpropyl)-4-ethylpiperazine is sourced from PubChem (CID 144727735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).