4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline

C24H32N2O2 — CID 66898215

IUPAC4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC(Oc1ccc2c(c1)CNCC2c1ccc(OC)cc1)C1CCCNC1
InChIInChI=1S/C24H32N2O2/c1-3-24(18-5-4-12-25-14-18)28-21-10-11-22-19(13-21)15-26-16-23(22)17-6-8-20(27-2)9-7-17/h6-11,13,18,23-26H,3-5,12,14-16H2,1-2H3
InChIKeyNONMJWCRCPYAOC-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.09
Rot. Bonds6

About 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline

4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 66898215) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID66898215
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESCCC(Oc1ccc2c(c1)CNCC2c1ccc(OC)cc1)C1CCCNC1
InChIInChI=1S/C24H32N2O2/c1-3-24(18-5-4-12-25-14-18)28-21-10-11-22-19(13-21)15-26-16-23(22)17-6-8-20(27-2)9-7-17/h6-11,13,18,23-26H,3-5,12,14-16H2,1-2H3
InChIKeyNONMJWCRCPYAOC-UHFFFAOYSA-N
XLogP4.09
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7-dimethoxy-4-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 617484
7-(3-fluoro-1-piperidin-4-ylpropoxy)-4-(4-methoxyphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 66884230
3-[1-(4-methylphenoxy)propyl]pyrrolidine
CID 173284733
3-(4-methoxyphenyl)piperidine
CID 12937920
(3S)-3-[(1S)-1-(3,5-difluoro-4-methoxyphenoxy)propyl]pyrrolidine
CID 66892314
(3S)-3-[(1S)-1-[3-(trifluoromethyl)phenoxy]propyl]pyrrolidine
CID 66890766
2-(4-methoxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119473969
7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 161060246
4-(4-methoxyphenyl)-7-(3-piperidin-1-ylpropoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine
CID 15983458
3-[(1R)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66891634
(3S)-3-[(1S)-1-(3,5-dichlorophenoxy)propyl]pyrrolidine
CID 66892286
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline (CID 66898215) is 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline is CCC(Oc1ccc2c(c1)CNCC2c1ccc(OC)cc1)C1CCCNC1.
What is the InChIKey of 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is NONMJWCRCPYAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-24(18-5-4-12-25-14-18)28-21-10-11-22-19(13-21)15-26-16-23(22)17-6-8-20(27-2)9-7-17/h6-11,13,18,23-26H,3-5,12,14-16H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 380.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-7-(1-piperidin-3-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 66898215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).