2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine

C19H32N2 — CID 83149537

IUPAC2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
SMILESCC(C)CCCN1CC(C)(c2ccccc2)NCC1(C)C
InChIInChI=1S/C19H32N2/c1-16(2)10-9-13-21-15-19(5,20-14-18(21,3)4)17-11-7-6-8-12-17/h6-8,11-12,16,20H,9-10,13-15H2,1-5H3
InChIKeyKUNBHODTNSPFMH-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.02
Rot. Bonds5

About 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine

2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine (PubChem CID 83149537) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
PubChem CID83149537
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine
SMILESCC(C)CCCN1CC(C)(c2ccccc2)NCC1(C)C
InChIInChI=1S/C19H32N2/c1-16(2)10-9-13-21-15-19(5,20-14-18(21,3)4)17-11-7-6-8-12-17/h6-8,11-12,16,20H,9-10,13-15H2,1-5H3
InChIKeyKUNBHODTNSPFMH-UHFFFAOYSA-N
XLogP4.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine?
The IUPAC name of 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine (CID 83149537) is 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine.
What is the SMILES notation for 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine?
The canonical SMILES for 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine is CC(C)CCCN1CC(C)(c2ccccc2)NCC1(C)C.
What is the InChIKey of 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine?
The InChIKey is KUNBHODTNSPFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)10-9-13-21-15-19(5,20-14-18(21,3)4)17-11-7-6-8-12-17/h6-8,11-12,16,20H,9-10,13-15H2,1-5H3.
What are the key properties of 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine?
2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5-trimethyl-1-(4-methylpentyl)-5-phenylpiperazine is sourced from PubChem (CID 83149537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).