(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol

C17H27NO2 — CID 103498594

IUPAC(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
SMILESCOc1cccc(N2CCC(C(C)C)CC2)c1[C@@H](C)O
InChIInChI=1S/C17H27NO2/c1-12(2)14-8-10-18(11-9-14)15-6-5-7-16(20-4)17(15)13(3)19/h5-7,12-14,19H,8-11H2,1-4H3/t13-/m1/s1
InChIKeyNVGAARATXHLDML-CYBMUJFWSA-N
MW277.41 g/mol
LogP3.62
Rot. Bonds4

About (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol

(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol (PubChem CID 103498594) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
PubChem CID103498594
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol
SMILESCOc1cccc(N2CCC(C(C)C)CC2)c1[C@@H](C)O
InChIInChI=1S/C17H27NO2/c1-12(2)14-8-10-18(11-9-14)15-6-5-7-16(20-4)17(15)13(3)19/h5-7,12-14,19H,8-11H2,1-4H3/t13-/m1/s1
InChIKeyNVGAARATXHLDML-CYBMUJFWSA-N
XLogP3.62
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-6-methoxyphenyl]ethanol
CID 113389249
1-[2-[(1S)-1-hydroxyethyl]-3-methoxyphenyl]-4-methylazepan-4-ol
CID 107405213
1-[2-methoxy-6-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethanol
CID 106315535
(1S)-1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-6-methoxyphenyl]ethanol
CID 104929030
4-[2-[(1R)-1-hydroxyethyl]-3-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102889530
(1S)-1-[2-methoxy-6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]ethanol
CID 104930367
1-[6-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]-2-pyridinyl]ethanol
CID 167941925
1-[3-methoxy-2-[1-(methylamino)ethyl]phenyl]-3-methylpiperidin-4-ol
CID 114679002
1-[2-methoxy-6-(4-methylpiperazin-1-yl)phenyl]ethanamine
CID 113388932
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
1-[1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]pyrrolidin-3-yl]ethanol
CID 113356001
1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol (CID 103498594) is (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol is COc1cccc(N2CCC(C(C)C)CC2)c1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol?
The InChIKey is NVGAARATXHLDML-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H27NO2/c1-12(2)14-8-10-18(11-9-14)15-6-5-7-16(20-4)17(15)13(3)19/h5-7,12-14,19H,8-11H2,1-4H3/t13-/m1/s1.
What are the key properties of (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol?
(1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol has a molecular weight of 277.41 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-methoxy-6-(4-propan-2-ylpiperidin-1-yl)phenyl]ethanol is sourced from PubChem (CID 103498594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).