2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol

C18H27NO2 — CID 82216418

IUPAC2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1ccc(C(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)13-21-17-6-4-16(5-7-17)18(20)12-19-10-8-15(3)9-11-19/h4-7,15,18,20H,1,8-13H2,2-3H3
InChIKeyKWWDNVPIOCGPSG-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.41
Rot. Bonds6

About 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol

2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol (PubChem CID 82216418) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
PubChem CID82216418
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol
SMILESC=C(C)COc1ccc(C(O)CN2CCC(C)CC2)cc1
InChIInChI=1S/C18H27NO2/c1-14(2)13-21-17-6-4-16(5-7-17)18(20)12-19-10-8-15(3)9-11-19/h4-7,15,18,20H,1,8-13H2,2-3H3
InChIKeyKWWDNVPIOCGPSG-UHFFFAOYSA-N
XLogP3.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-hydroxy-2-[4-(2-methylprop-2-enoxy)phenyl]ethyl]pyrrolidine-2-carboxylic acid
CID 82216432
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
2-(4-methylpiperidin-1-yl)-1-thiophen-3-ylethanol
CID 106436295
1-(3-amino-4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethanol
CID 82070794
2-(3,4-dimethylpiperazin-1-yl)-1-(4-ethoxyphenyl)ethanol
CID 63634863
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-(4-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 54944956
1-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)ethanol
CID 54944825
N-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]acetamide
CID 2962057
1-(4-methylpiperidin-1-yl)-3-(4-phenylphenoxy)propan-2-ol
CID 2939361
1-[4-(aminomethyl)phenoxy]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 43253309
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol (CID 82216418) is 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol is C=C(C)COc1ccc(C(O)CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol?
The InChIKey is KWWDNVPIOCGPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-14(2)13-21-17-6-4-16(5-7-17)18(20)12-19-10-8-15(3)9-11-19/h4-7,15,18,20H,1,8-13H2,2-3H3.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol?
2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol has a molecular weight of 289.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-[4-(2-methylprop-2-enoxy)phenyl]ethanol is sourced from PubChem (CID 82216418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).