(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine

C17H22FN3O — CID 100705115

IUPAC(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1[C@H]1CCCCN1CCOc1ccccc1F
InChIInChI=1S/C17H22FN3O/c1-20-15(9-10-19-20)16-7-4-5-11-21(16)12-13-22-17-8-3-2-6-14(17)18/h2-3,6,8-10,16H,4-5,7,11-13H2,1H3/t16-/m1/s1
InChIKeyJVBKHJGCMKNSAA-MRXNPFEDSA-N
MW303.38 g/mol
LogP3.17
Rot. Bonds5

About (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine

(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine (PubChem CID 100705115) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine.

Molecular Properties

Compound Name(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
PubChem CID100705115
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine
SMILESCn1nccc1[C@H]1CCCCN1CCOc1ccccc1F
InChIInChI=1S/C17H22FN3O/c1-20-15(9-10-19-20)16-7-4-5-11-21(16)12-13-22-17-8-3-2-6-14(17)18/h2-3,6,8-10,16H,4-5,7,11-13H2,1H3/t16-/m1/s1
InChIKeyJVBKHJGCMKNSAA-MRXNPFEDSA-N
XLogP3.17
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2R)-1-[2-(2-fluorophenoxy)ethyl]piperidin-2-yl]-1,3-benzothiazole
CID 95567776
(2S)-1-[2-(2-fluorophenoxy)ethyl]-2-(1,2,4-triazol-1-ylmethyl)piperidine
CID 95609795
[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methanol
CID 78942355
5-[[2-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905712
[1-[[1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 111753162
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95307713
(2R)-2-methyl-4-[2-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]ethyl]morpholine
CID 124875430
2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetic acid
CID 25247982
1-[(2R)-2-[(2S)-1-[2-(2-fluorophenoxy)ethyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95311251
4-ethyl-5-fluoro-6-[(2S)-2-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidine
CID 124885111
N-(3,4-difluorophenyl)-2-[2-(2-methylpyrazol-3-yl)pyrrolidin-1-yl]acetamide
CID 136563671

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine?
The IUPAC name of (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine (CID 100705115) is (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine.
What is the SMILES notation for (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine?
The canonical SMILES for (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine is Cn1nccc1[C@H]1CCCCN1CCOc1ccccc1F.
What is the InChIKey of (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine?
The InChIKey is JVBKHJGCMKNSAA-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-20-15(9-10-19-20)16-7-4-5-11-21(16)12-13-22-17-8-3-2-6-14(17)18/h2-3,6,8-10,16H,4-5,7,11-13H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine?
(2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine has a molecular weight of 303.38 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-fluorophenoxy)ethyl]-2-(2-methylpyrazol-3-yl)piperidine is sourced from PubChem (CID 100705115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).