2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine

C18H30N2 — CID 107888529

IUPAC2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine
SMILESCCCC(C)N1CC(C)(C)NCC1(C)c1ccccc1
InChIInChI=1S/C18H30N2/c1-6-10-15(2)20-14-17(3,4)19-13-18(20,5)16-11-8-7-9-12-16/h7-9,11-12,15,19H,6,10,13-14H2,1-5H3
InChIKeyVPSKMWGYFLZHNX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds4

About 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine

2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine (PubChem CID 107888529) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine
PubChem CID107888529
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine
SMILESCCCC(C)N1CC(C)(C)NCC1(C)c1ccccc1
InChIInChI=1S/C18H30N2/c1-6-10-15(2)20-14-17(3,4)19-13-18(20,5)16-11-8-7-9-12-16/h7-9,11-12,15,19H,6,10,13-14H2,1-5H3
InChIKeyVPSKMWGYFLZHNX-UHFFFAOYSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine?
The IUPAC name of 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine (CID 107888529) is 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine?
The canonical SMILES for 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine is CCCC(C)N1CC(C)(C)NCC1(C)c1ccccc1.
What is the InChIKey of 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine?
The InChIKey is VPSKMWGYFLZHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-6-10-15(2)20-14-17(3,4)19-13-18(20,5)16-11-8-7-9-12-16/h7-9,11-12,15,19H,6,10,13-14H2,1-5H3.
What are the key properties of 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine?
2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-pentan-2-yl-2-phenylpiperazine is sourced from PubChem (CID 107888529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).