[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol

C17H27NO2 — CID 63159605

IUPAC[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
SMILESCCC1(C)CCN(Cc2cc(CO)ccc2OC)CC1
InChIInChI=1S/C17H27NO2/c1-4-17(2)7-9-18(10-8-17)12-15-11-14(13-19)5-6-16(15)20-3/h5-6,11,19H,4,7-10,12-13H2,1-3H3
InChIKeyGVRVTLIXPFWDLG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.20
Rot. Bonds5

About [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol

[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol (PubChem CID 63159605) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol.

Molecular Properties

Compound Name[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
PubChem CID63159605
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
SMILESCCC1(C)CCN(Cc2cc(CO)ccc2OC)CC1
InChIInChI=1S/C17H27NO2/c1-4-17(2)7-9-18(10-8-17)12-15-11-14(13-19)5-6-16(15)20-3/h5-6,11,19H,4,7-10,12-13H2,1-3H3
InChIKeyGVRVTLIXPFWDLG-UHFFFAOYSA-N
XLogP3.20
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]-N-methylmethanamine
CID 63160456
(3S)-3-ethyl-1-[[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidin-3-ol
CID 99935983
[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-methoxyphenyl]methanol
CID 62018768
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
[2-methoxy-5-(pyrrolidin-1-ylmethyl)phenyl]methanol
CID 46785371
[5-[(4,4-dimethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 65338758
1-[(5-bromo-2-methoxyphenyl)methyl]-4,4-diethylpiperidine
CID 63456682
1-[(2-methoxy-5-methylphenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728617
3-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-methoxyphenyl]prop-2-yn-1-ol
CID 62932654
[4-methoxy-3-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methanol
CID 62017644
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
The IUPAC name of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol (CID 63159605) is [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol.
What is the SMILES notation for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
The canonical SMILES for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol is CCC1(C)CCN(Cc2cc(CO)ccc2OC)CC1.
What is the InChIKey of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
The InChIKey is GVRVTLIXPFWDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-17(2)7-9-18(10-8-17)12-15-11-14(13-19)5-6-16(15)20-3/h5-6,11,19H,4,7-10,12-13H2,1-3H3.
What are the key properties of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol?
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol has a molecular weight of 277.41 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol is sourced from PubChem (CID 63159605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).