1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine

C23H32N2O2 — CID 171304822

IUPAC1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccc(OC)c(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C23H32N2O2/c1-4-18(2)23(25-14-12-24-13-15-25)20-10-11-21(26-3)22(16-20)27-17-19-8-6-5-7-9-19/h5-11,16,18,23-24H,4,12-15,17H2,1-3H3/t18?,23-/m1/s1
InChIKeyBCYSBKFXHNUVCE-WBPHRXDCSA-N
MW368.52 g/mol
LogP4.27
Rot. Bonds8

About 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine

1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine (PubChem CID 171304822) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
PubChem CID171304822
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine
SMILESCCC(C)[C@H](c1ccc(OC)c(OCc2ccccc2)c1)N1CCNCC1
InChIInChI=1S/C23H32N2O2/c1-4-18(2)23(25-14-12-24-13-15-25)20-10-11-21(26-3)22(16-20)27-17-19-8-6-5-7-9-19/h5-11,16,18,23-24H,4,12-15,17H2,1-3H3/t18?,23-/m1/s1
InChIKeyBCYSBKFXHNUVCE-WBPHRXDCSA-N
XLogP4.27
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171305499
1-[(1R)-1-(3-ethoxy-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304751
1-[(1S)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine
CID 171305634
1-[(1R)-1-(4,5-dimethoxy-2-phenylmethoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304869
(2S)-2-(4-methoxy-3-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 171183197
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171295691
1-[(1S)-1-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl]piperazine
CID 171282129
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171280600
1-[(1S)-1-(3-bromo-4-methoxyphenyl)-2-methylbutyl]piperazine
CID 171305332
1-[(1R)-4,4,4-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)butyl]piperazine;hydrochloride
CID 171172530
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)-2-methylbutyl]piperazine;dihydrochloride
CID 171304379
1-[(1R)-1-(3-methoxy-4-phenylmethoxyphenyl)pentyl]piperazine
CID 171308355

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine?
The IUPAC name of 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine (CID 171304822) is 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine is CCC(C)[C@H](c1ccc(OC)c(OCc2ccccc2)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine?
The InChIKey is BCYSBKFXHNUVCE-WBPHRXDCSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-4-18(2)23(25-14-12-24-13-15-25)20-10-11-21(26-3)22(16-20)27-17-19-8-6-5-7-9-19/h5-11,16,18,23-24H,4,12-15,17H2,1-3H3/t18?,23-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine?
1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine has a molecular weight of 368.52 g/mol, XLogP of 4.27, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxy-3-phenylmethoxyphenyl)-2-methylbutyl]piperazine is sourced from PubChem (CID 171304822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).