[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol

C16H25NO2 — CID 82303366

IUPAC[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
SMILESCC(C)(C)Oc1ccc(C(O)C2CCCNC2)cc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)19-14-8-6-12(7-9-14)15(18)13-5-4-10-17-11-13/h6-9,13,15,17-18H,4-5,10-11H2,1-3H3
InChIKeyQPWCXLXQXQXKNY-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.90
Rot. Bonds3

About [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol

[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol (PubChem CID 82303366) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol.

Molecular Properties

Compound Name[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
PubChem CID82303366
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol
SMILESCC(C)(C)Oc1ccc(C(O)C2CCCNC2)cc1
InChIInChI=1S/C16H25NO2/c1-16(2,3)19-14-8-6-12(7-9-14)15(18)13-5-4-10-17-11-13/h6-9,13,15,17-18H,4-5,10-11H2,1-3H3
InChIKeyQPWCXLXQXQXKNY-UHFFFAOYSA-N
XLogP2.90
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylphenyl)-piperidin-3-ylmethanol
CID 43146496
[4-(2-methylbutan-2-yl)phenyl]-piperidin-3-ylmethanol
CID 66259760
(R)-phenyl-[(3S)-piperidin-3-yl]methanol
CID 39238461
(4-fluoro-3-methylphenyl)-piperidin-3-ylmethanol
CID 79023931
(3S)-3-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]piperidine
CID 95458543
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
(3-chlorophenyl)-[(3R)-piperidin-3-yl]methanol
CID 67190676
3-[(4-tert-butylphenyl)-fluoromethyl]piperidine
CID 112565434
piperidin-3-yl-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methanol
CID 167761587
2,3-dihydro-1-benzofuran-5-yl(piperidin-3-yl)methanol
CID 43146492
(4-aminophenyl)-(azepan-4-yl)methanol
CID 84686059
azepan-4-yl-(4-chlorophenyl)methanol
CID 84701681

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol?
The IUPAC name of [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol (CID 82303366) is [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol.
What is the SMILES notation for [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol?
The canonical SMILES for [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol is CC(C)(C)Oc1ccc(C(O)C2CCCNC2)cc1.
What is the InChIKey of [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol?
The InChIKey is QPWCXLXQXQXKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-16(2,3)19-14-8-6-12(7-9-14)15(18)13-5-4-10-17-11-13/h6-9,13,15,17-18H,4-5,10-11H2,1-3H3.
What are the key properties of [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol?
[4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol has a molecular weight of 263.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylpropan-2-yl)oxy]phenyl]-piperidin-3-ylmethanol is sourced from PubChem (CID 82303366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).