2-methyl-1-(2-methylpentyl)-5-phenylpiperazine

C17H28N2 — CID 64875917

IUPAC2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
SMILESCCCC(C)CN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C17H28N2/c1-4-8-14(2)12-19-13-17(18-11-15(19)3)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18H,4,8,11-13H2,1-3H3
InChIKeyMKBGTTZRMUECLC-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.46
Rot. Bonds5

About 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine

2-methyl-1-(2-methylpentyl)-5-phenylpiperazine (PubChem CID 64875917) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
PubChem CID64875917
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
SMILESCCCC(C)CN1CC(c2ccccc2)NCC1C
InChIInChI=1S/C17H28N2/c1-4-8-14(2)12-19-13-17(18-11-15(19)3)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18H,4,8,11-13H2,1-3H3
InChIKeyMKBGTTZRMUECLC-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentyl)-5-phenyl-2-propan-2-ylpiperazine
CID 64878230
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
CID 102908543
2-cyclopropyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64876312
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
2-ethyl-1-(2-methylbutyl)-5-phenylpiperazine
CID 64877650
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643
1-heptan-2-yl-2-methyl-5-phenylpiperazine
CID 64935927
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine?
The IUPAC name of 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine (CID 64875917) is 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine?
The canonical SMILES for 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine is CCCC(C)CN1CC(c2ccccc2)NCC1C.
What is the InChIKey of 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine?
The InChIKey is MKBGTTZRMUECLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-8-14(2)12-19-13-17(18-11-15(19)3)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18H,4,8,11-13H2,1-3H3.
What are the key properties of 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine?
2-methyl-1-(2-methylpentyl)-5-phenylpiperazine has a molecular weight of 260.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpentyl)-5-phenylpiperazine is sourced from PubChem (CID 64875917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).