4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol

C16H25NO2 — CID 81041796

IUPAC4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
SMILESCCC(C)c1ccccc1OCC1(O)CCNCC1
InChIInChI=1S/C16H25NO2/c1-3-13(2)14-6-4-5-7-15(14)19-12-16(18)8-10-17-11-9-16/h4-7,13,17-18H,3,8-12H2,1-2H3
InChIKeyHWRMKDVHMRFWBZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.69
Rot. Bonds5

About 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol

4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol (PubChem CID 81041796) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
PubChem CID81041796
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol
SMILESCCC(C)c1ccccc1OCC1(O)CCNCC1
InChIInChI=1S/C16H25NO2/c1-3-13(2)14-6-4-5-7-15(14)19-12-16(18)8-10-17-11-9-16/h4-7,13,17-18H,3,8-12H2,1-2H3
InChIKeyHWRMKDVHMRFWBZ-UHFFFAOYSA-N
XLogP2.69
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-propan-2-ylphenoxy)methyl]cyclopentan-1-ol
CID 65213064
1-[2-(2-butan-2-ylphenoxy)ethyl]piperazine
CID 2943811
1-[[2-[1-(methylamino)ethyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208309
1-[[2-[1-(ethylamino)propyl]phenoxy]methyl]cyclohexan-1-ol
CID 65208142
4-(2-butan-2-ylphenoxy)butanimidamide
CID 24708154
2-(2-butan-2-ylphenoxy)ethanolate
CID 164822470
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
CID 120632708
N-[1-(aminomethyl)cyclopentyl]-2-(2-butan-2-ylphenoxy)acetamide;hydrochloride
CID 119567384
N-(2-aminoethyl)-2-(2-butan-2-ylphenoxy)acetamide
CID 61207891
4-(2,3-dihydro-1H-inden-4-yloxymethyl)piperidin-4-ol
CID 13423979
2-(2-butan-2-ylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119579471
4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide
CID 94448403

Frequently Asked Questions

What is the IUPAC name of 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol?
The IUPAC name of 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol (CID 81041796) is 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol is CCC(C)c1ccccc1OCC1(O)CCNCC1.
What is the InChIKey of 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol?
The InChIKey is HWRMKDVHMRFWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-13(2)14-6-4-5-7-15(14)19-12-16(18)8-10-17-11-9-16/h4-7,13,17-18H,3,8-12H2,1-2H3.
What are the key properties of 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol?
4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol has a molecular weight of 263.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-butan-2-ylphenoxy)methyl]piperidin-4-ol is sourced from PubChem (CID 81041796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).