(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C17H31N5O2 — CID 95979171

IUPAC(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C[C@H](O)Cn1cccn1
InChIInChI=1S/C17H31N5O2/c1-15-10-20(14-17-13-19(2)8-9-24-17)6-7-21(15)11-16(23)12-22-5-3-4-18-22/h3-5,15-17,23H,6-14H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyMXECFHCUNSEZGH-IKGGRYGDSA-N
MW337.47 g/mol
LogP-0.42
Rot. Bonds6

About (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 95979171) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID95979171
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESC[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C[C@H](O)Cn1cccn1
InChIInChI=1S/C17H31N5O2/c1-15-10-20(14-17-13-19(2)8-9-24-17)6-7-21(15)11-16(23)12-22-5-3-4-18-22/h3-5,15-17,23H,6-14H2,1-2H3/t15-,16+,17+/m1/s1
InChIKeyMXECFHCUNSEZGH-IKGGRYGDSA-N
XLogP-0.42
TPSA57.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(2R)-2-[[(3S)-4-[(1-ethylimidazol-2-yl)methyl]-3-methylpiperazin-1-yl]methyl]-4-methylmorpholine
CID 98768790
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100842326
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
1-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-3-pyrazol-1-ylpropan-2-ol
CID 127614779
1-[(4-ethylmorpholin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 115626302
(3R,4S)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidine-3,4-diol
CID 115278442
(2R)-1-[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124786448
(2S)-1-[(2R)-2-methyl-4-[[(2S)-oxan-2-yl]methyl]piperazin-1-yl]propan-2-ol
CID 124780455
(2S)-4-methyl-2-[[(3S)-3-methyl-4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]methyl]morpholine
CID 95750583
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 95979171) is (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1C[C@H](O)Cn1cccn1.
What is the InChIKey of (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is MXECFHCUNSEZGH-IKGGRYGDSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-15-10-20(14-17-13-19(2)8-9-24-17)6-7-21(15)11-16(23)12-22-5-3-4-18-22/h3-5,15-17,23H,6-14H2,1-2H3/t15-,16+,17+/m1/s1.
What are the key properties of (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 337.47 g/mol, XLogP of -0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 95979171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).