(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

C17H25N3O3 — CID 95343819

IUPAC(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESO[C@H](COCc1ccco1)CN1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H25N3O3/c21-16(13-22-14-17-6-3-10-23-17)12-19-8-2-1-5-15(19)11-20-9-4-7-18-20/h3-4,6-7,9-10,15-16,21H,1-2,5,8,11-14H2/t15-,16+/m1/s1
InChIKeyWANJWSZATCRSPQ-CVEARBPZSA-N
MW319.41 g/mol
LogP1.91
Rot. Bonds8

About (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol

(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (PubChem CID 95343819) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
PubChem CID95343819
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
SMILESO[C@H](COCc1ccco1)CN1CCCC[C@@H]1Cn1cccn1
InChIInChI=1S/C17H25N3O3/c21-16(13-22-14-17-6-3-10-23-17)12-19-8-2-1-5-15(19)11-20-9-4-7-18-20/h3-4,6-7,9-10,15-16,21H,1-2,5,8,11-14H2/t15-,16+/m1/s1
InChIKeyWANJWSZATCRSPQ-CVEARBPZSA-N
XLogP1.91
TPSA63.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]propan-2-ol
CID 95610423
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95610445
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426034
1-[(2R)-2-[(2S)-1-[(2S)-3-(furan-2-ylmethoxy)-2-hydroxypropyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95316604
(2R)-1-(thiophen-2-ylmethoxy)-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 129426024
1-(furan-2-ylmethoxy)-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 111116661
(1R)-1-(2-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanol
CID 129448916
(2R)-1-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-(furan-2-ylmethoxy)propan-2-ol
CID 100841540
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95323465
(2R)-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 100842296

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol (CID 95343819) is (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is O[C@H](COCc1ccco1)CN1CCCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
The InChIKey is WANJWSZATCRSPQ-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-16(13-22-14-17-6-3-10-23-17)12-19-8-2-1-5-15(19)11-20-9-4-7-18-20/h3-4,6-7,9-10,15-16,21H,1-2,5,8,11-14H2/t15-,16+/m1/s1.
What are the key properties of (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol?
(2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol has a molecular weight of 319.41 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(furan-2-ylmethoxy)-3-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 95343819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).