1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine

C24H32N2O — CID 143619277

IUPAC1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine
SMILESCC1C(COCc2ccccc2)CC1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N2O/c1-20-22(16-23(20)19-27-18-21-8-4-2-5-9-21)17-25-12-14-26(15-13-25)24-10-6-3-7-11-24/h2-11,20,22-23H,12-19H2,1H3
InChIKeyWTNXROZQLACHSF-UHFFFAOYSA-N
MW364.53 g/mol
LogP4.30
Rot. Bonds7

About 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine

1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine (PubChem CID 143619277) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine
PubChem CID143619277
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine
SMILESCC1C(COCc2ccccc2)CC1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H32N2O/c1-20-22(16-23(20)19-27-18-21-8-4-2-5-9-21)17-25-12-14-26(15-13-25)24-10-6-3-7-11-24/h2-11,20,22-23H,12-19H2,1H3
InChIKeyWTNXROZQLACHSF-UHFFFAOYSA-N
XLogP4.30
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-benzyl-2-methyl-3-(phenylmethoxymethyl)azetidine
CID 139578462
(1S,2S,3S,4R)-2,3-bis(phenylmethoxymethyl)bicyclo[2.1.0]pentane
CID 166976209
2-[(1R)-2-methylcyclopropyl]ethoxymethylbenzene
CID 158778090
(1S,2S,3S,5R)-3-methyl-2-(phenylmethoxymethyl)-6-oxabicyclo[3.1.0]hexane
CID 58620345
trans-(1R,2R)-4-(phenylmethoxymethyl)cyclopentane-1,2-diamine
CID 57481680
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
(2S,3R)-1-benzyl-3-(phenylmethoxymethyl)azetidine-2-carboxylic acid
CID 126651453
3-[(4-phenylpiperazin-1-yl)methyl]oxan-4-amine
CID 103058461
(5S)-3-phenyl-5-(phenylmethoxymethyl)-1,3-oxazolidin-2-one
CID 124582958
[(1R,2R,3R,4R)-4-methoxy-2,3-bis(phenylmethoxy)cyclopentyl]methoxymethylbenzene
CID 101171372
1-[[(1R,3S)-2,2-dimethyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperidine
CID 59293421
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine (CID 143619277) is 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine is CC1C(COCc2ccccc2)CC1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine?
The InChIKey is WTNXROZQLACHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-20-22(16-23(20)19-27-18-21-8-4-2-5-9-21)17-25-12-14-26(15-13-25)24-10-6-3-7-11-24/h2-11,20,22-23H,12-19H2,1H3.
What are the key properties of 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine?
1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine has a molecular weight of 364.53 g/mol, XLogP of 4.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-3-(phenylmethoxymethyl)cyclobutyl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 143619277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).