2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine

C19H32N2 — CID 102908543

IUPAC2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
SMILESCC(C)C(CN1CC(c2ccccc2)NCC1C)C(C)C
InChIInChI=1S/C19H32N2/c1-14(2)18(15(3)4)12-21-13-19(20-11-16(21)5)17-9-7-6-8-10-17/h6-10,14-16,18-20H,11-13H2,1-5H3
InChIKeyHUCPORGKWBCLAK-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.95
Rot. Bonds5

About 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine

2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine (PubChem CID 102908543) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
PubChem CID102908543
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine
SMILESCC(C)C(CN1CC(c2ccccc2)NCC1C)C(C)C
InChIInChI=1S/C19H32N2/c1-14(2)18(15(3)4)12-21-13-19(20-11-16(21)5)17-9-7-6-8-10-17/h6-10,14-16,18-20H,11-13H2,1-5H3
InChIKeyHUCPORGKWBCLAK-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-methylpentyl)-5-phenylpiperazine
CID 64875917
1-(2-fluoroethyl)-2-methyl-5-phenylpiperazine
CID 80696742
1-(cyclobutylmethyl)-2-methyl-5-phenylpiperazine
CID 64935189
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2-methyl-5-phenyl-1-(3,3,3-trifluoropropyl)piperazine
CID 64876492
1-heptan-2-yl-2-methyl-5-phenylpiperazine
CID 64935927
1-(2-ethoxyethyl)-2-methyl-5-phenylpiperazine
CID 64877643
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
2-methyl-5-phenyl-1-(2-propylsulfonylethyl)piperazine
CID 106733197
2-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpiperazine
CID 64876301
2-ethyl-1-(4-methylpentyl)-5-phenylpiperazine
CID 64939440
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine?
The IUPAC name of 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine (CID 102908543) is 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine.
What is the SMILES notation for 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine?
The canonical SMILES for 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine is CC(C)C(CN1CC(c2ccccc2)NCC1C)C(C)C.
What is the InChIKey of 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine?
The InChIKey is HUCPORGKWBCLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-14(2)18(15(3)4)12-21-13-19(20-11-16(21)5)17-9-7-6-8-10-17/h6-10,14-16,18-20H,11-13H2,1-5H3.
What are the key properties of 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine?
2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine has a molecular weight of 288.48 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-2-propan-2-ylbutyl)-5-phenylpiperazine is sourced from PubChem (CID 102908543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).