1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C18H25FN4O2 — CID 128980350

IUPAC1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(CCOc3ccccc3F)C2)nn1
InChIInChI=1S/C18H25FN4O2/c1-14(2)23-12-17(20-21-23)18(24)8-5-9-22(13-18)10-11-25-16-7-4-3-6-15(16)19/h3-4,6-7,12,14,24H,5,8-11,13H2,1-2H3
InChIKeyKSFLKWBHKWNHQL-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.36
Rot. Bonds6

About 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 128980350) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID128980350
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Name1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc(C2(O)CCCN(CCOc3ccccc3F)C2)nn1
InChIInChI=1S/C18H25FN4O2/c1-14(2)23-12-17(20-21-23)18(24)8-5-9-22(13-18)10-11-25-16-7-4-3-6-15(16)19/h3-4,6-7,12,14,24H,5,8-11,13H2,1-2H3
InChIKeyKSFLKWBHKWNHQL-UHFFFAOYSA-N
XLogP2.36
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
CID 128980388
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298
2-fluoro-6-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]benzonitrile
CID 129482310
2-fluoro-6-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]benzonitrile
CID 128977820
(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484807
1-ethylsulfonyl-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128975140
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366
(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484602
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 128980350) is 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc(C2(O)CCCN(CCOc3ccccc3F)C2)nn1.
What is the InChIKey of 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is KSFLKWBHKWNHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-14(2)23-12-17(20-21-23)18(24)8-5-9-22(13-18)10-11-25-16-7-4-3-6-15(16)19/h3-4,6-7,12,14,24H,5,8-11,13H2,1-2H3.
What are the key properties of 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 348.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)ethyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128980350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).