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

C17H26N2O — CID 91105632

IUPAC1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2OCCCC1CCNCC1
InChIInChI=1S/C17H26N2O/c1-2-6-16-15(5-1)9-12-19-17(16)20-13-3-4-14-7-10-18-11-8-14/h1-2,5-6,14,17-19H,3-4,7-13H2
InChIKeyIXNROXPRQFBCDN-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.63
Rot. Bonds5

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

1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 91105632) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
PubChem CID91105632
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline
SMILESc1ccc2c(c1)CCNC2OCCCC1CCNCC1
InChIInChI=1S/C17H26N2O/c1-2-6-16-15(5-1)9-12-19-17(16)20-13-3-4-14-7-10-18-11-8-14/h1-2,5-6,14,17-19H,3-4,7-13H2
InChIKeyIXNROXPRQFBCDN-UHFFFAOYSA-N
XLogP2.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperidine;hydrochloride
CID 70543749
1-propan-2-yloxy-1,2,3,4-tetrahydroisoquinoline
CID 66868044
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
1-[(4-methylsulfonylphenyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 175846511
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082
N-(1,2,3,4-tetrahydroisoquinolin-1-yloxy)formamide
CID 174778552
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604
(2S)-2-hydroxy-2-[[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]oxy]butanoic acid
CID 124639143
N-methyl-N-(piperidin-4-ylmethyl)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 119929963
2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
CID 62211993
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline (CID 91105632) is 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline is c1ccc2c(c1)CCNC2OCCCC1CCNCC1.
What is the InChIKey of 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is IXNROXPRQFBCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-6-16-15(5-1)9-12-19-17(16)20-13-3-4-14-7-10-18-11-8-14/h1-2,5-6,14,17-19H,3-4,7-13H2.
What are the key properties of 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline?
1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylpropoxy)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 91105632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).