[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol

C21H27NO2 — CID 67899203

IUPAC[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
SMILESCCc1ccccc1N1CCC(C(O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H27NO2/c1-3-16-6-4-5-7-20(16)22-14-12-18(13-15-22)21(23)17-8-10-19(24-2)11-9-17/h4-11,18,21,23H,3,12-15H2,1-2H3
InChIKeyRXERGUGOEKLCRY-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.21
Rot. Bonds5

About [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol

[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol (PubChem CID 67899203) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
PubChem CID67899203
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
SMILESCCc1ccccc1N1CCC(C(O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C21H27NO2/c1-3-16-6-4-5-7-20(16)22-14-12-18(13-15-22)21(23)17-8-10-19(24-2)11-9-17/h4-11,18,21,23H,3,12-15H2,1-2H3
InChIKeyRXERGUGOEKLCRY-UHFFFAOYSA-N
XLogP4.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-2-yl-(4-methoxyphenyl)methanol
CID 65410577
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
CID 54146924
4-[hydroxy(phenyl)methyl]-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 87000052
(3-ethylcyclopentyl)-(4-methoxyphenyl)methanol
CID 65409565
cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
4-[[4-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carbonyl]amino]butanoic acid
CID 122022013
(1S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 7036660
1-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 51945239
[4-(4-methoxyphenyl)phenyl]-piperidin-4-ylmethanol
CID 82341647
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959584
cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
CID 79104504

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol?
The IUPAC name of [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol (CID 67899203) is [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol.
What is the SMILES notation for [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol?
The canonical SMILES for [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol is CCc1ccccc1N1CCC(C(O)c2ccc(OC)cc2)CC1.
What is the InChIKey of [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol?
The InChIKey is RXERGUGOEKLCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-3-16-6-4-5-7-20(16)22-14-12-18(13-15-22)21(23)17-8-10-19(24-2)11-9-17/h4-11,18,21,23H,3,12-15H2,1-2H3.
What are the key properties of [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol?
[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol has a molecular weight of 325.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol is sourced from PubChem (CID 67899203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).