(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol

C19H27N3O2 — CID 95609211

IUPAC(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESCOc1ccc(C)cc1[C@H](O)CN1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H27N3O2/c1-15-7-8-19(24-2)17(12-15)18(23)14-21-10-4-3-6-16(21)13-22-11-5-9-20-22/h5,7-9,11-12,16,18,23H,3-4,6,10,13-14H2,1-2H3/t16-,18-/m1/s1
InChIKeyYYDRUXJCMKRPLP-SJLPKXTDSA-N
MW329.44 g/mol
LogP2.79
Rot. Bonds6

About (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol

(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol (PubChem CID 95609211) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
PubChem CID95609211
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
SMILESCOc1ccc(C)cc1[C@H](O)CN1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C19H27N3O2/c1-15-7-8-19(24-2)17(12-15)18(23)14-21-10-4-3-6-16(21)13-22-11-5-9-20-22/h5,7-9,11-12,16,18,23H,3-4,6,10,13-14H2,1-2H3/t16-,18-/m1/s1
InChIKeyYYDRUXJCMKRPLP-SJLPKXTDSA-N
XLogP2.79
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 129448916
(1S)-1-(2,5-dimethoxyphenyl)-2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanol
CID 129448778
(1R)-1-(3-fluorophenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 95343853
1-[2-chloro-2-(2-methoxy-5-methylphenyl)ethyl]-2-ethylpiperidine
CID 82214719
2-(2-ethylpiperidin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43266464
(1R)-1-(3-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanol
CID 129426151
1-(2-methoxy-5-methylphenyl)-2-(3-propylpyrrolidin-1-yl)ethanol
CID 115667609
1-(2-methoxy-5-propan-2-ylphenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82216877
2-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 63633648
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95343819
(2S)-1-(2-methylprop-2-enyl)-2-(pyrazol-1-ylmethyl)piperidine
CID 95325556
3-(3-fluoro-4-methoxyphenyl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 95353507

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol (CID 95609211) is (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol is COc1ccc(C)cc1[C@H](O)CN1CCCC[C@@H]1Cn1cccn1.
What is the InChIKey of (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
The InChIKey is YYDRUXJCMKRPLP-SJLPKXTDSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-7-8-19(24-2)17(12-15)18(23)14-21-10-4-3-6-16(21)13-22-11-5-9-20-22/h5,7-9,11-12,16,18,23H,3-4,6,10,13-14H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol?
(1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol has a molecular weight of 329.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxy-5-methylphenyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 95609211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).