4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine

C20H27N3O2 — CID 97157965

IUPAC4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
SMILESc1ccc(-n2cccn2)c(CN2CCC(OC[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-2-7-20(23-11-4-10-21-23)17(5-1)15-22-12-8-18(9-13-22)25-16-19-6-3-14-24-19/h1-2,4-5,7,10-11,18-19H,3,6,8-9,12-16H2/t19-/m1/s1
InChIKeyLLGGLTLWFACTSM-LJQANCHMSA-N
MW341.45 g/mol
LogP3.03
Rot. Bonds6

About 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine

4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine (PubChem CID 97157965) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
PubChem CID97157965
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine
SMILESc1ccc(-n2cccn2)c(CN2CCC(OC[C@H]3CCCO3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-2-7-20(23-11-4-10-21-23)17(5-1)15-22-12-8-18(9-13-22)25-16-19-6-3-14-24-19/h1-2,4-5,7,10-11,18-19H,3,6,8-9,12-16H2/t19-/m1/s1
InChIKeyLLGGLTLWFACTSM-LJQANCHMSA-N
XLogP3.03
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine with MolForge

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Related Compounds

1-(oxan-2-yl)-N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 102555706
[2-(morpholin-4-ylmethyl)phenyl]-[4-[[(2S)-oxolan-2-yl]methoxy]piperidin-1-yl]methanone
CID 99814762
(2S)-2-(2-phenylethyl)-4-[(2-pyrazol-1-ylphenyl)methyl]morpholine
CID 95557695
(1S)-2-[4-[[(2S)-oxan-2-yl]methoxy]piperidin-1-yl]-1-phenylethanol
CID 124883143
7-chloro-8-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]quinoline
CID 102559179
N-ethyl-4-(oxan-2-ylmethoxy)-N'-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 109447026
1-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]piperidine
CID 97157966
1-[(4-chloro-1-methylpyrazol-5-yl)methyl]-4-[[(2R)-oxan-2-yl]methoxy]piperidine
CID 124619404
1-(4-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)piperidin-1-yl]ethanol
CID 111916541
1-(2-methylpyrazol-3-yl)sulfonyl-4-[[(2S)-oxan-2-yl]methoxy]piperidine
CID 124727248
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
5-methyl-4-[[4-(oxan-2-ylmethoxy)piperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 136550700

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
The IUPAC name of 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine (CID 97157965) is 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
The canonical SMILES for 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine is c1ccc(-n2cccn2)c(CN2CCC(OC[C@H]3CCCO3)CC2)c1.
What is the InChIKey of 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
The InChIKey is LLGGLTLWFACTSM-LJQANCHMSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-7-20(23-11-4-10-21-23)17(5-1)15-22-12-8-18(9-13-22)25-16-19-6-3-14-24-19/h1-2,4-5,7,10-11,18-19H,3,6,8-9,12-16H2/t19-/m1/s1.
What are the key properties of 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine?
4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine has a molecular weight of 341.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-oxolan-2-yl]methoxy]-1-[(2-pyrazol-1-ylphenyl)methyl]piperidine is sourced from PubChem (CID 97157965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).