(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

C17H30N4O2 — CID 100842326

IUPAC(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESCC1CCN(C[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)CC1
InChIInChI=1S/C17H30N4O2/c1-15-3-7-19(8-4-15)11-16(22)12-20-9-10-23-17(13-20)14-21-6-2-5-18-21/h2,5-6,15-17,22H,3-4,7-14H2,1H3/t16-,17+/m0/s1
InChIKeyCLVUZJXDPNXVFA-DLBZAZTESA-N
MW322.45 g/mol
LogP0.68
Rot. Bonds6

About (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol

(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (PubChem CID 100842326) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
PubChem CID100842326
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
SMILESCC1CCN(C[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)CC1
InChIInChI=1S/C17H30N4O2/c1-15-3-7-19(8-4-15)11-16(22)12-20-9-10-23-17(13-20)14-21-6-2-5-18-21/h2,5-6,15-17,22H,3-4,7-14H2,1H3/t16-,17+/m0/s1
InChIKeyCLVUZJXDPNXVFA-DLBZAZTESA-N
XLogP0.68
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-(4-methylpiperidin-1-yl)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 95610468
(2S)-1-[(2S)-2-ethylmorpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 94176327
(2S)-1-(4-methoxyphenoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843595
(1S)-1-phenyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841885
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 95288616
(2S)-1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95276399
(1R)-1-(3,4-dimethylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100841952
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]ethanol
CID 100843607
(2R)-1-[4-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepan-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 124787969
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]propan-2-ol
CID 100843690
(2S)-1-[(2R)-2-methyl-4-[[(2S)-4-methylmorpholin-2-yl]methyl]piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 95979171
1-[(4-ethylmorpholin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 115626302

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol (CID 100842326) is (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is CC1CCN(C[C@H](O)CN2CCO[C@@H](Cn3cccn3)C2)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
The InChIKey is CLVUZJXDPNXVFA-DLBZAZTESA-N. The full InChI is InChI=1S/C17H30N4O2/c1-15-3-7-19(8-4-15)11-16(22)12-20-9-10-23-17(13-20)14-21-6-2-5-18-21/h2,5-6,15-17,22H,3-4,7-14H2,1H3/t16-,17+/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol?
(2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperidin-1-yl)-3-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]propan-2-ol is sourced from PubChem (CID 100842326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).