6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol

C30H45N3O3 — CID 22906072

IUPAC6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESCCCN(CCCCCCN1CCN(c2ccccc2OC)CC1)C1CCc2c(ccc(O)c2O)C1
InChIInChI=1S/C30H45N3O3/c1-3-16-32(25-13-14-26-24(23-25)12-15-28(34)30(26)35)18-9-5-4-8-17-31-19-21-33(22-20-31)27-10-6-7-11-29(27)36-2/h6-7,10-12,15,25,34-35H,3-5,8-9,13-14,16-23H2,1-2H3
InChIKeyODPDZLWTSCVLCT-UHFFFAOYSA-N
MW495.71 g/mol
LogP5.06
Rot. Bonds12

About 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol

6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol (PubChem CID 22906072) has the molecular formula C30H45N3O3 and a molecular weight of 495.71 g/mol. Its IUPAC name is 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound Name6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
PubChem CID22906072
Molecular FormulaC30H45N3O3
Molecular Weight495.71 g/mol
Exact Mass495.35
IUPAC Name6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESCCCN(CCCCCCN1CCN(c2ccccc2OC)CC1)C1CCc2c(ccc(O)c2O)C1
InChIInChI=1S/C30H45N3O3/c1-3-16-32(25-13-14-26-24(23-25)12-15-28(34)30(26)35)18-9-5-4-8-17-31-19-21-33(22-20-31)27-10-6-7-11-29(27)36-2/h6-7,10-12,15,25,34-35H,3-5,8-9,13-14,16-23H2,1-2H3
InChIKeyODPDZLWTSCVLCT-UHFFFAOYSA-N
XLogP5.06
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.71
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[[(2S)-5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]hexyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 70059089
6-[6-[2-[(3-methoxy-2-pyridinyl)oxy]ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol;trihydrochloride
CID 18707438
(7S)-7-[4-(4-phenylpiperazin-1-yl)butyl-propylamino]-5,6,7,8-tetrahydronaphthalen-2-ol;trihydrochloride
CID 24755407
(6S)-6-[2-butoxyethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 15228242
(6S)-6-[7-[[(2S)-5-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-propylamino]heptyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 71459664
N-ethyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 66937227
(6S)-6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542
5-methoxy-N-pentyl-N-propyl-1,2,3,4-tetrahydronaphthalen-2-amine;oxalic acid
CID 90668689
6-[2-(4-phenylpiperazin-1-yl)ethyl-propylamino]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24742011
(6S)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
CID 97290365
tert-butyl 4-[4-[2-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-propylamino]ethyl]piperazin-1-yl]carbazole-9-carboxylate
CID 140960037
(6S)-6-[6-[2-(4-aminophenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877949

Frequently Asked Questions

What is the IUPAC name of 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The IUPAC name of 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol (CID 22906072) is 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol is CCCN(CCCCCCN1CCN(c2ccccc2OC)CC1)C1CCc2c(ccc(O)c2O)C1.
What is the InChIKey of 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The InChIKey is ODPDZLWTSCVLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N3O3/c1-3-16-32(25-13-14-26-24(23-25)12-15-28(34)30(26)35)18-9-5-4-8-17-31-19-21-33(22-20-31)27-10-6-7-11-29(27)36-2/h6-7,10-12,15,25,34-35H,3-5,8-9,13-14,16-23H2,1-2H3.
What are the key properties of 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol has a molecular weight of 495.71 g/mol, XLogP of 5.06, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 22906072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).