4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine

C19H30N2O — CID 94855988

IUPAC4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(NCCCN2CCCCC2)c2c1CCCC2
InChIInChI=1S/C19H30N2O/c1-22-19-11-10-18(16-8-3-4-9-17(16)19)20-12-7-15-21-13-5-2-6-14-21/h10-11,20H,2-9,12-15H2,1H3
InChIKeyQKVNJFRBBYZNJW-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.86
Rot. Bonds6

About 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine

4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine (PubChem CID 94855988) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
PubChem CID94855988
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine
SMILESCOc1ccc(NCCCN2CCCCC2)c2c1CCCC2
InChIInChI=1S/C19H30N2O/c1-22-19-11-10-18(16-8-3-4-9-17(16)19)20-12-7-15-21-13-5-2-6-14-21/h10-11,20H,2-9,12-15H2,1H3
InChIKeyQKVNJFRBBYZNJW-UHFFFAOYSA-N
XLogP3.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
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'}

Analyze 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine 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

2,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093801
3,4-dimethoxy-N-(3-piperidin-1-ylpropyl)aniline
CID 82093802
N-[3-(azepan-1-yl)propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100689280
1-[3-(azepan-1-yl)propyl]-3-(2,4-dimethoxyphenyl)thiourea
CID 100616341
N-[3-(azepan-1-yl)propyl]-4-methoxy-2,3-dimethylbenzenesulfonamide
CID 100759913
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
4-methoxy-2-nitro-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 60666961
1-(4-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-pyrrolidin-1-ylbutan-2-one
CID 70458258
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
2-[2-(azepan-1-yl)ethylamino]-4-methoxybenzonitrile
CID 81303360
4-methoxy-2,3-dimethyl-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 100546802
3-chloro-4-methoxy-N-(2-piperidin-1-ylethyl)aniline
CID 54806952

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The IUPAC name of 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine (CID 94855988) is 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The canonical SMILES for 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine is COc1ccc(NCCCN2CCCCC2)c2c1CCCC2.
What is the InChIKey of 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
The InChIKey is QKVNJFRBBYZNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-22-19-11-10-18(16-8-3-4-9-17(16)19)20-12-7-15-21-13-5-2-6-14-21/h10-11,20H,2-9,12-15H2,1H3.
What are the key properties of 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine?
4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine has a molecular weight of 302.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(3-piperidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 94855988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).