(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol

C19H27N3O3 — CID 94814851

IUPAC(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESCOc1ccccc1COC[C@@H](O)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C19H27N3O3/c1-24-19-5-3-2-4-16(19)13-25-14-17(23)12-22-10-7-15(8-11-22)18-6-9-20-21-18/h2-6,9,15,17,23H,7-8,10-14H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyKEISLVGCGHJADZ-KRWDZBQOSA-N
MW345.44 g/mol
LogP2.18
Rot. Bonds8

About (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol

(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (PubChem CID 94814851) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
PubChem CID94814851
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESCOc1ccccc1COC[C@@H](O)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C19H27N3O3/c1-24-19-5-3-2-4-16(19)13-25-14-17(23)12-22-10-7-15(8-11-22)18-6-9-20-21-18/h2-6,9,15,17,23H,7-8,10-14H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeyKEISLVGCGHJADZ-KRWDZBQOSA-N
XLogP2.18
TPSA70.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
CID 94806087
1-(4-ethyl-1,4-diazepan-1-yl)-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 111102960
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 25490234
(3R)-1-[(2R)-2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperidin-3-ol
CID 100848872
2-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 42926668
1-[3-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylmethoxypropan-2-ol
CID 111437418
(2R)-1-(4-benzylpiperidin-1-yl)-3-[(2,5-dimethoxyphenyl)methoxy]propan-2-ol
CID 42588343
(2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 11923360
(2R)-1-amino-3-[(2-methoxyphenyl)methoxy]propan-2-ol
CID 97180175
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-4-yl)piperidin-1-yl]propan-2-ol
CID 95137870
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
1-(4-methylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol
CID 2834350

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (CID 94814851) is (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is COc1ccccc1COC[C@@H](O)CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is KEISLVGCGHJADZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-24-19-5-3-2-4-16(19)13-25-14-17(23)12-22-10-7-15(8-11-22)18-6-9-20-21-18/h2-6,9,15,17,23H,7-8,10-14H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
(2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 345.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2-methoxyphenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 94814851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).