[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol

C18H29NO2 — CID 110908629

IUPAC[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
SMILESCC(C)(C)OCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)21-14-13-19-11-9-16(10-12-19)17(20)15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3
InChIKeySSPUFIMTFLALLI-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.25
Rot. Bonds5

About [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol

[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol (PubChem CID 110908629) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol.

Molecular Properties

Compound Name[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
PubChem CID110908629
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol
SMILESCC(C)(C)OCCN1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C18H29NO2/c1-18(2,3)21-14-13-19-11-9-16(10-12-19)17(20)15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3
InChIKeySSPUFIMTFLALLI-UHFFFAOYSA-N
XLogP3.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
cyclopropyl-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]methanol
CID 112591034
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931575
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoic acid
CID 119134519
cyclopentane;[1-[3-(4-methylphenoxy)propyl]piperidin-4-yl]-phenylmethanol
CID 144757762
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
ethyl 4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanoate
CID 110922539
1-[1-(2-benzhydryloxyethyl)piperidin-4-yl]ethanol
CID 111114119
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
phenyl-(1-prop-2-ynylpiperidin-4-yl)methanol
CID 110884402
3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-N-methylpropane-1-sulfonamide
CID 111022318

Frequently Asked Questions

What is the IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol?
The IUPAC name of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol (CID 110908629) is [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol.
What is the SMILES notation for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol?
The canonical SMILES for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol is CC(C)(C)OCCN1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol?
The InChIKey is SSPUFIMTFLALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-18(2,3)21-14-13-19-11-9-16(10-12-19)17(20)15-7-5-4-6-8-15/h4-8,16-17,20H,9-14H2,1-3H3.
What are the key properties of [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol?
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol has a molecular weight of 291.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]-phenylmethanol is sourced from PubChem (CID 110908629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).