(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine

C16H21FN4O — CID 95609795

IUPAC(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFc1ccccc1OCCN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C16H21FN4O/c17-15-6-1-2-7-16(15)22-10-9-20-8-4-3-5-14(20)11-21-13-18-12-19-21/h1-2,6-7,12-14H,3-5,8-11H2/t14-/m0/s1
InChIKeyOYWCUFAUBMBBPD-AWEZNQCLSA-N
MW304.37 g/mol
LogP2.35
Rot. Bonds6

About (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine

(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 95609795) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID95609795
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESFc1ccccc1OCCN1CCCC[C@H]1Cn1cncn1
InChIInChI=1S/C16H21FN4O/c17-15-6-1-2-7-16(15)22-10-9-20-8-4-3-5-14(20)11-21-13-18-12-19-21/h1-2,6-7,12-14H,3-5,8-11H2/t14-/m0/s1
InChIKeyOYWCUFAUBMBBPD-AWEZNQCLSA-N
XLogP2.35
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzonitrile
CID 95321635
[1-[[1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753162
[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 78942355
(2R)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 95323465
1-[[(2S)-1-(3-phenylpropyl)pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 95305742
(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
CID 100705115
(2S)-1-phenoxy-3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-2-ol
CID 129426047
1-[[(2S)-1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 129427030
(2S)-1-[(2-fluorophenyl)methoxy]-3-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]propan-2-ol
CID 95307671
3-[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propane-1-sulfonamide
CID 95610028
3-[2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95609927
1-[3-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propyl]pyrrolidin-2-one
CID 56780658

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine (CID 95609795) is (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine is Fc1ccccc1OCCN1CCCC[C@H]1Cn1cncn1.
What is the InChIKey of (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is OYWCUFAUBMBBPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21FN4O/c17-15-6-1-2-7-16(15)22-10-9-20-8-4-3-5-14(20)11-21-13-18-12-19-21/h1-2,6-7,12-14H,3-5,8-11H2/t14-/m0/s1.
What are the key properties of (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine?
(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 304.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 95609795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).