(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol

C18H30N2O — CID 124740064

IUPAC(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN([C@@H](C)CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H30N2O/c1-15(9-10-18-7-5-4-6-8-18)19-11-12-20(14-17(3)21)16(2)13-19/h4-8,15-17,21H,9-14H2,1-3H3/t15-,16+,17-/m0/s1
InChIKeyUGMMRMDLNONXGC-BBWFWOEESA-N
MW290.45 g/mol
LogP2.39
Rot. Bonds6

About (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol

(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 124740064) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID124740064
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN([C@@H](C)CCc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H30N2O/c1-15(9-10-18-7-5-4-6-8-18)19-11-12-20(14-17(3)21)16(2)13-19/h4-8,15-17,21H,9-14H2,1-3H3/t15-,16+,17-/m0/s1
InChIKeyUGMMRMDLNONXGC-BBWFWOEESA-N
XLogP2.39
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol with MolForge

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Related Compounds

2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-N-(3-phenylpropyl)acetamide
CID 56802208
2-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119880087
1-benzyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1378378
1-ethyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 783939
(2R)-1-[(2R)-2-methyl-4-(2-pyridin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 95610921
4-methyl-1-(4-phenylbutan-2-yl)pyrrolidine-3-carboxylic acid
CID 65065313
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
1-[1-(4-phenylbutan-2-yl)azetidin-3-yl]piperazine
CID 66202032
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 56802797
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
3-amino-1-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]-3-phenylpropan-1-one
CID 119953755
2-(4-fluorophenyl)-2-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]acetamide
CID 56802234

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol (CID 124740064) is (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN([C@@H](C)CCc2ccccc2)C[C@H]1C.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is UGMMRMDLNONXGC-BBWFWOEESA-N. The full InChI is InChI=1S/C18H30N2O/c1-15(9-10-18-7-5-4-6-8-18)19-11-12-20(14-17(3)21)16(2)13-19/h4-8,15-17,21H,9-14H2,1-3H3/t15-,16+,17-/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol?
(2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 290.45 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-[(2S)-4-phenylbutan-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 124740064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).