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

C18H24FN3O2 — CID 94806087

IUPAC(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1F)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C18H24FN3O2/c19-17-4-2-1-3-15(17)12-24-13-16(23)11-22-9-6-14(7-10-22)18-5-8-20-21-18/h1-5,8,14,16,23H,6-7,9-13H2,(H,20,21)/t16-/m1/s1
InChIKeyHLJPSMIMUAPZNF-MRXNPFEDSA-N
MW333.41 g/mol
LogP2.31
Rot. Bonds7

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

(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (PubChem CID 94806087) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
PubChem CID94806087
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol
SMILESO[C@@H](COCc1ccccc1F)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C18H24FN3O2/c19-17-4-2-1-3-15(17)12-24-13-16(23)11-22-9-6-14(7-10-22)18-5-8-20-21-18/h1-5,8,14,16,23H,6-7,9-13H2,(H,20,21)/t16-/m1/s1
InChIKeyHLJPSMIMUAPZNF-MRXNPFEDSA-N
XLogP2.31
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2314434
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 95352978
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CID 95352976
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 92752913
(2S)-1-[(2-fluorophenyl)methoxy]-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 1217435
1-[(2-fluorophenyl)methoxy]-3-(4-phenylmethoxypiperidin-1-yl)propan-2-ol
CID 86913317
1-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-N-methylpiperidine-4-carboxamide
CID 134055072
1-[(2-fluorophenyl)methoxy]-3-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]propan-2-ol
CID 110913010
(2R)-1-[(2-fluorophenyl)methoxy]-3-(4-methylsulfonylpiperazin-1-yl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol (CID 94806087) is (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is O[C@@H](COCc1ccccc1F)CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
The InChIKey is HLJPSMIMUAPZNF-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24FN3O2/c19-17-4-2-1-3-15(17)12-24-13-16(23)11-22-9-6-14(7-10-22)18-5-8-20-21-18/h1-5,8,14,16,23H,6-7,9-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol?
(2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol has a molecular weight of 333.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2-fluorophenyl)methoxy]-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 94806087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).