1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine

C17H28N2O2 — CID 764461

IUPAC1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCC[C@H](C)N1CCN(Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H28N2O2/c1-5-14(2)19-10-8-18(9-11-19)13-15-12-16(20-3)6-7-17(15)21-4/h6-7,12,14H,5,8-11,13H2,1-4H3/t14-/m0/s1
InChIKeyFYWWOWBQGGLIGK-AWEZNQCLSA-N
MW292.42 g/mol
LogP2.62
Rot. Bonds6

About 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine

1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine (PubChem CID 764461) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
PubChem CID764461
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
SMILESCC[C@H](C)N1CCN(Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H28N2O2/c1-5-14(2)19-10-8-18(9-11-19)13-15-12-16(20-3)6-7-17(15)21-4/h6-7,12,14H,5,8-11,13H2,1-4H3/t14-/m0/s1
InChIKeyFYWWOWBQGGLIGK-AWEZNQCLSA-N
XLogP2.62
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-bromo-5-methoxyphenyl)methyl]-4-butan-2-ylpiperazine
CID 65326018
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol
CID 111489429
1-butan-2-yl-4-[(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3150606
1-[(2S)-butan-2-yl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 787037
2-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579457
5-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-methoxyaniline
CID 62774197
1-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975675
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 17442681
N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55432519
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine (CID 764461) is 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine is CC[C@H](C)N1CCN(Cc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
The InChIKey is FYWWOWBQGGLIGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-5-14(2)19-10-8-18(9-11-19)13-15-12-16(20-3)6-7-17(15)21-4/h6-7,12,14H,5,8-11,13H2,1-4H3/t14-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine?
1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine has a molecular weight of 292.42 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine is sourced from PubChem (CID 764461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).