1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

C24H38N2O — CID 10384556

IUPAC1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESc1cc2c(cc1OCCCN1CCCCC1)N(CC1CCCCC1)CCC2
InChIInChI=1S/C24H38N2O/c1-3-9-21(10-4-1)20-26-17-7-11-22-12-13-23(19-24(22)26)27-18-8-16-25-14-5-2-6-15-25/h12-13,19,21H,1-11,14-18,20H2
InChIKeyOKNSAZCVLNFTQP-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.27
Rot. Bonds7

About 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (PubChem CID 10384556) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
PubChem CID10384556
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESc1cc2c(cc1OCCCN1CCCCC1)N(CC1CCCCC1)CCC2
InChIInChI=1S/C24H38N2O/c1-3-9-21(10-4-1)20-26-17-7-11-22-12-13-23(19-24(22)26)27-18-8-16-25-14-5-2-6-15-25/h12-13,19,21H,1-11,14-18,20H2
InChIKeyOKNSAZCVLNFTQP-UHFFFAOYSA-N
XLogP5.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 55.27
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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (CID 10384556) is 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is c1cc2c(cc1OCCCN1CCCCC1)N(CC1CCCCC1)CCC2.
What is the InChIKey of 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The InChIKey is OKNSAZCVLNFTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-3-9-21(10-4-1)20-26-17-7-11-22-12-13-23(19-24(22)26)27-18-8-16-25-14-5-2-6-15-25/h12-13,19,21H,1-11,14-18,20H2.
What are the key properties of 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline has a molecular weight of 370.58 g/mol, XLogP of 5.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 10384556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).