2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

C19H30N2O — CID 11516322

IUPAC2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
InChIKeyRBIWQPWBRGMJJX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.32
Rot. Bonds6

About 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline

2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline (PubChem CID 11516322) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
PubChem CID11516322
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline
SMILESCCN1CCc2ccc(OCCCN3CCCCC3)cc2C1
InChIInChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3
InChIKeyRBIWQPWBRGMJJX-UHFFFAOYSA-N
XLogP3.32
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-(4-(1-Piperidinylmethyl)phenoxy)propyl)piperidine
CID 2766326
7-Methoxy-1,2,3,4-Tetrahydroisoquinoline
CID 417288
1-(3-Methoxybenzyl)-4-(3-phenylpropyl)piperazine
CID 751070
Dimethyl-[4-(3-piperidin-1-yl-propoxy)-benzyl]-amine
CID 9835304
4-(4-((1-Isopropylpiperidin-4-yl)oxy)benzyl)morpholine
CID 9858195
4-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]morpholine
CID 9880039
2-Ethyl-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroisoquinoline
CID 9951524
4-[4-(Piperidin-1-ylmethyl)phenoxy]-1-propan-2-ylpiperidine
CID 9966707
3-Ethyl-7-(3-piperidin-1-yl-propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 9973087
2-isopropyl-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[c]azepine
CID 9973932
3-(cyclohexylmethyl)-7-(3-(piperidin-1-yl)propoxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine
CID 10000114
1-Methyl-4-[[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]piperazine
CID 10131633

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline (CID 11516322) is 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline is CCN1CCc2ccc(OCCCN3CCCCC3)cc2C1.
What is the InChIKey of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
The InChIKey is RBIWQPWBRGMJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-2-20-13-9-17-7-8-19(15-18(17)16-20)22-14-6-12-21-10-4-3-5-11-21/h7-8,15H,2-6,9-14,16H2,1H3.
What are the key properties of 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline?
2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline has a molecular weight of 302.46 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 11516322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).