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

C22H29NO3 — CID 54146924

IUPAC(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CCN2CCC(C(O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29NO3/c1-25-20-7-3-17(4-8-20)11-14-23-15-12-19(13-16-23)22(24)18-5-9-21(26-2)10-6-18/h3-10,19,22,24H,11-16H2,1-2H3
InChIKeyOFAKNNJGWQEVOP-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.69
Rot. Bonds7

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

(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol (PubChem CID 54146924) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
PubChem CID54146924
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol
SMILESCOc1ccc(CCN2CCC(C(O)c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C22H29NO3/c1-25-20-7-3-17(4-8-20)11-14-23-15-12-19(13-16-23)22(24)18-5-9-21(26-2)10-6-18/h3-10,19,22,24H,11-16H2,1-2H3
InChIKeyOFAKNNJGWQEVOP-UHFFFAOYSA-N
XLogP3.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
cyclopropyl-[1-[2-(4-methoxyphenyl)ethyl]pyrrol-3-yl]methanol
CID 79104504
(R)-phenyl-[1-(2-phenylethyl)piperidin-4-yl]methanol
CID 6604770
N-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]thiohydroxylamine
CID 123350321
cyclopropyl-[4-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 6482546
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(4-ethylcyclohexyl)-(4-methoxyphenyl)methanol
CID 64749359
3-chloro-1-[2-(4-methoxyphenyl)ethyl]pyrrolidine
CID 65445936
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl] formate
CID 174365627
[1-(2-ethylphenyl)piperidin-4-yl]-(4-methoxyphenyl)methanol
CID 67899203
(R)-(2,3-dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 25242563
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959584

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
The IUPAC name of (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol (CID 54146924) is (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol.
What is the SMILES notation for (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
The canonical SMILES for (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol is COc1ccc(CCN2CCC(C(O)c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
The InChIKey is OFAKNNJGWQEVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-25-20-7-3-17(4-8-20)11-14-23-15-12-19(13-16-23)22(24)18-5-9-21(26-2)10-6-18/h3-10,19,22,24H,11-16H2,1-2H3.
What are the key properties of (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol?
(4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol has a molecular weight of 355.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanol is sourced from PubChem (CID 54146924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).