5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C24H33N3O — CID 10523786

IUPAC5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-28-24-13-6-10-21-22(24)11-5-12-23(21)25-14-7-15-26-16-18-27(19-17-26)20-8-3-2-4-9-20/h2-4,6,8-10,13,23,25H,5,7,11-12,14-19H2,1H3
InChIKeyJVGJNXVXHQYNTM-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.87
Rot. Bonds7

About 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 10523786) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID10523786
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCOc1cccc2c1CCCC2NCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H33N3O/c1-28-24-13-6-10-21-22(24)11-5-12-23(21)25-14-7-15-26-16-18-27(19-17-26)20-8-3-2-4-9-20/h2-4,6,8-10,13,23,25H,5,7,11-12,14-19H2,1H3
InChIKeyJVGJNXVXHQYNTM-UHFFFAOYSA-N
XLogP3.87
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-2,3-dihydro-1H-perimidine
CID 727037
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10361439
1-(2-Methoxy-phenyl)-4-[3-(5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-piperazine
CID 10385977
1-(7-Methoxynaphthalen-2-yl)piperazine
CID 44351692
1-[(3E)-3-(5-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)propyl]-4-(2-methoxyphenyl)piperazine
CID 10475634
4-Cyclohexyl-1-[N-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-aminoethyl]piperidine
CID 44598190
(5-Dimethylamino-2-methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine
CID 22879211
N-[2-(4-cyclohexylpiperazin-1-yl)ethyl]-5-methoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 51003106
N-[(2-methoxyphenyl)methyl]-4-(1-piperidinyl)aniline
CID 892164
4-(3-(1,2-Dihydro-8-methoxynaphthalen-4-yl)-n-propyl)-1-(2-pyridyl)piperazine
CID 192639
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-phenyl-piperazine
CID 10021562
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-(3-trifluoromethyl-phenyl)-piperazine
CID 10025711

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 10523786) is 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is COc1cccc2c1CCCC2NCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is JVGJNXVXHQYNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-28-24-13-6-10-21-22(24)11-5-12-23(21)25-14-7-15-26-16-18-27(19-17-26)20-8-3-2-4-9-20/h2-4,6,8-10,13,23,25H,5,7,11-12,14-19H2,1H3.
What are the key properties of 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 379.55 g/mol, XLogP of 3.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 10523786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).