2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol

C21H27NO2 — CID 95867281

IUPAC2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1ccccc1[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C21H27NO2/c1-17-5-2-3-7-21(17)19-6-4-12-22(16-19)15-18-8-10-20(11-9-18)24-14-13-23/h2-3,5,7-11,19,23H,4,6,12-16H2,1H3/t19-/m0/s1
InChIKeyJUGTWVLCAMJDGD-IBGZPJMESA-N
MW325.45 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol

2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol (PubChem CID 95867281) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
PubChem CID95867281
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
SMILESCc1ccccc1[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1
InChIInChI=1S/C21H27NO2/c1-17-5-2-3-7-21(17)19-6-4-12-22(16-19)15-18-8-10-20(11-9-18)24-14-13-23/h2-3,5,7-11,19,23H,4,6,12-16H2,1H3/t19-/m0/s1
InChIKeyJUGTWVLCAMJDGD-IBGZPJMESA-N
XLogP3.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 99950414
2-[4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 45240182
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
(4-chloro-2-methylphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25283002
N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]propane-2-sulfonamide
CID 25044705
2-[3-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenoxy]ethanol
CID 45249761
(3,4-dimethoxyphenyl)-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methanone
CID 25478429
5-[[3-(2-methylphenyl)piperidin-1-yl]methyl]pyrazine-2-carboxylic acid
CID 137343550
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
2-[(2S)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 28730365
2-[(2R)-4-[[4-(2-hydroxyethoxy)phenyl]methyl]-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 98566789
5-fluoro-N-[[(3R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-3-yl]methyl]-2-methylbenzenesulfonamide
CID 25037618

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol (CID 95867281) is 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol is Cc1ccccc1[C@H]1CCCN(Cc2ccc(OCCO)cc2)C1.
What is the InChIKey of 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is JUGTWVLCAMJDGD-IBGZPJMESA-N. The full InChI is InChI=1S/C21H27NO2/c1-17-5-2-3-7-21(17)19-6-4-12-22(16-19)15-18-8-10-20(11-9-18)24-14-13-23/h2-3,5,7-11,19,23H,4,6,12-16H2,1H3/t19-/m0/s1.
What are the key properties of 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol?
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 325.45 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 95867281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).