3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol

C21H22N2O2 — CID 143380555

IUPAC3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol
SMILESOc1cccc(CN2CCC(Oc3ccc4cnccc4c3)CC2)c1
InChIInChI=1S/C21H22N2O2/c24-19-3-1-2-16(12-19)15-23-10-7-20(8-11-23)25-21-5-4-18-14-22-9-6-17(18)13-21/h1-6,9,12-14,20,24H,7-8,10-11,15H2
InChIKeyXEZWZXVTSAWTJQ-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.98
Rot. Bonds4

About 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol

3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol (PubChem CID 143380555) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol
PubChem CID143380555
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol
SMILESOc1cccc(CN2CCC(Oc3ccc4cnccc4c3)CC2)c1
InChIInChI=1S/C21H22N2O2/c24-19-3-1-2-16(12-19)15-23-10-7-20(8-11-23)25-21-5-4-18-14-22-9-6-17(18)13-21/h1-6,9,12-14,20,24H,7-8,10-11,15H2
InChIKeyXEZWZXVTSAWTJQ-UHFFFAOYSA-N
XLogP3.98
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
3-[[(3R)-3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenol
CID 44598899
3-[[4-(2-bromoethoxy)piperidin-1-yl]methyl]phenol
CID 82701584
4-(4-isoquinolin-6-yloxycyclohexyl)morpholine
CID 59268507
ethane;ethylbenzene;6-(4-methylcyclohexyl)oxyisoquinoline
CID 143705548
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
6-[1-(3-methylbutyl)piperidin-4-yl]oxyisoquinoline;2,2,2-trifluoroacetic acid
CID 162326303
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
CID 97236462
8-chloro-6-[1-[(4-methylphenyl)methyl]piperidin-4-yl]oxyisoquinoline;hydrochloride
CID 162340373
tert-butyl N-[1-(isoquinolin-6-ylmethyl)piperidin-4-yl]carbamate
CID 58080855
4-[[4-(4-methylphenoxy)piperidin-1-yl]methyl]pyridine
CID 90245740
(E)-3-(3-fluorophenyl)-1-[4-[3-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]piperidin-1-yl]prop-2-en-1-one
CID 30726225

Frequently Asked Questions

What is the IUPAC name of 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol?
The IUPAC name of 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol (CID 143380555) is 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol?
The canonical SMILES for 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol is Oc1cccc(CN2CCC(Oc3ccc4cnccc4c3)CC2)c1.
What is the InChIKey of 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol?
The InChIKey is XEZWZXVTSAWTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-19-3-1-2-16(12-19)15-23-10-7-20(8-11-23)25-21-5-4-18-14-22-9-6-17(18)13-21/h1-6,9,12-14,20,24H,7-8,10-11,15H2.
What are the key properties of 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol?
3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol has a molecular weight of 334.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol is sourced from PubChem (CID 143380555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).