[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol

C19H29NO2 — CID 97329788

IUPAC[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCC(C)c1ccc([C@H]2CCCCN2CC2(CO)COC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)16-6-8-17(9-7-16)18-5-3-4-10-20(18)11-19(12-21)13-22-14-19/h6-9,15,18,21H,3-5,10-14H2,1-2H3/t18-/m1/s1
InChIKeyMFQSLXNAOWYNFV-GOSISDBHSA-N
MW303.45 g/mol
LogP3.35
Rot. Bonds5

About [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol

[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol (PubChem CID 97329788) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
PubChem CID97329788
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
SMILESCC(C)c1ccc([C@H]2CCCCN2CC2(CO)COC2)cc1
InChIInChI=1S/C19H29NO2/c1-15(2)16-6-8-17(9-7-16)18-5-3-4-10-20(18)11-19(12-21)13-22-14-19/h6-9,15,18,21H,3-5,10-14H2,1-2H3/t18-/m1/s1
InChIKeyMFQSLXNAOWYNFV-GOSISDBHSA-N
XLogP3.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[2-(1H-indol-2-yl)piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 111976743
[3-[(2-ethylpiperidin-1-yl)methyl]oxetan-3-yl]methanol
CID 111976477
(2R)-1-methyl-2-(4-propan-2-ylphenyl)pyrrolidine
CID 134254909
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
CID 82224047
1-phenyl-2-[2-(4-phenylphenyl)piperidin-1-yl]ethanone
CID 18423529
2-[2-(4-chlorophenyl)azepan-1-yl]acetic acid
CID 119135905
2-(4-fluorophenyl)-1-(2-methylpropyl)azepane
CID 90816221
1-ethyl-2-phenylazepane
CID 59678181
2-methoxy-1-[(2R)-2-(4-propan-2-ylphenyl)pyrrolidin-1-yl]ethanone
CID 124514038
2-[2-(2-hydroxyethyl)piperidin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 82215800
2-(2-phenylpiperidin-1-yl)acetic acid
CID 23201321
2-(2-phenylpiperidin-1-yl)ethanamine
CID 69157822

Frequently Asked Questions

What is the IUPAC name of [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol (CID 97329788) is [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol is CC(C)c1ccc([C@H]2CCCCN2CC2(CO)COC2)cc1.
What is the InChIKey of [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
The InChIKey is MFQSLXNAOWYNFV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(2)16-6-8-17(9-7-16)18-5-3-4-10-20(18)11-19(12-21)13-22-14-19/h6-9,15,18,21H,3-5,10-14H2,1-2H3/t18-/m1/s1.
What are the key properties of [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol?
[3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol has a molecular weight of 303.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(2R)-2-(4-propan-2-ylphenyl)piperidin-1-yl]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 97329788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).