(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol

C15H23NO2 — CID 95342192

IUPAC(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
SMILESCOc1cccc(CN2CCCC[C@@H]2[C@H](C)O)c1
InChIInChI=1S/C15H23NO2/c1-12(17)15-8-3-4-9-16(15)11-13-6-5-7-14(10-13)18-2/h5-7,10,12,15,17H,3-4,8-9,11H2,1-2H3/t12-,15+/m0/s1
InChIKeyXGOUCRNYZJWEPP-SWLSCSKDSA-N
MW249.35 g/mol
LogP2.43
Rot. Bonds4

About (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol

(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol (PubChem CID 95342192) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
PubChem CID95342192
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
SMILESCOc1cccc(CN2CCCC[C@@H]2[C@H](C)O)c1
InChIInChI=1S/C15H23NO2/c1-12(17)15-8-3-4-9-16(15)11-13-6-5-7-14(10-13)18-2/h5-7,10,12,15,17H,3-4,8-9,11H2,1-2H3/t12-,15+/m0/s1
InChIKeyXGOUCRNYZJWEPP-SWLSCSKDSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
1-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 111106746
(1R)-1-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-2-yl]ethanol
CID 95354319
1-[1-(furan-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882688
2,4,6-tris[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]phenol
CID 141293787
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
4-[[2-(1-hydroxyethyl)piperidin-1-yl]methyl]-7-methoxychromen-2-one
CID 111106910
1-[1-(1H-pyrrol-3-ylmethyl)piperidin-2-yl]ethanol
CID 115882687
N-[3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenyl]-4-methoxybenzamide
CID 120897030

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol?
The IUPAC name of (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol (CID 95342192) is (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol.
What is the SMILES notation for (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol?
The canonical SMILES for (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol is COc1cccc(CN2CCCC[C@@H]2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol?
The InChIKey is XGOUCRNYZJWEPP-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H23NO2/c1-12(17)15-8-3-4-9-16(15)11-13-6-5-7-14(10-13)18-2/h5-7,10,12,15,17H,3-4,8-9,11H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol?
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol has a molecular weight of 249.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 95342192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).