1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

C24H38N2O — CID 10364005

IUPAC1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESc1cc2c(cc1OCCCN1CCCCC1)CCCN2CC1CCCCC1
InChIInChI=1S/C24H38N2O/c1-3-9-21(10-4-1)20-26-17-7-11-22-19-23(12-13-24(22)26)27-18-8-16-25-14-5-2-6-15-25/h12-13,19,21H,1-11,14-18,20H2
InChIKeyNYJYODFTHLFMNE-UHFFFAOYSA-N
MW370.58 g/mol
LogP5.27
Rot. Bonds7

About 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline

1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (PubChem CID 10364005) has the molecular formula C24H38N2O and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
PubChem CID10364005
Molecular FormulaC24H38N2O
Molecular Weight370.58 g/mol
Exact Mass370.30
IUPAC Name1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline
SMILESc1cc2c(cc1OCCCN1CCCCC1)CCCN2CC1CCCCC1
InChIInChI=1S/C24H38N2O/c1-3-9-21(10-4-1)20-26-17-7-11-22-19-23(12-13-24(22)26)27-18-8-16-25-14-5-2-6-15-25/h12-13,19,21H,1-11,14-18,20H2
InChIKeyNYJYODFTHLFMNE-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': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-Ethoxy-2,2,4-trimethyl-1,2,3,4-tetrahydroquinoline
CID 86013
Quinoline, 1,2,3,4-tetrahydro-6-methoxy-
CID 67113
2-(4-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 9912022
2-(3-Hydroxy-phenyl)-1-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-1,2,3,4-tetrahydro-quinolin-6-ol
CID 10182934
1-Methyl-4-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenyl]piperazine
CID 57672016
1-(2-Isochroman-1-yl-ethyl)-4-(4-methoxy-phenyl)-piperazine
CID 9863333
1-(cis-1-(3-Ethoxyphenyl)-4-methylcyclohexyl)-4-phenylpiperazine
CID 9894291
6-(3-(Piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9974962
1-Ethyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9995111
1-(Cyclohexylmethyl)-5-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 9999254
1-(Phenylsulfonyl)-6-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10026806
1-Ethyl-5-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydroquinoline
CID 10063514

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline (CID 10364005) is 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is c1cc2c(cc1OCCCN1CCCCC1)CCCN2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
The InChIKey is NYJYODFTHLFMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O/c1-3-9-21(10-4-1)20-26-17-7-11-22-19-23(12-13-24(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)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline?
1-(cyclohexylmethyl)-6-(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)-6-(3-piperidin-1-ylpropoxy)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 10364005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).