N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride

C28H32Cl2N2O — CID 67761369

IUPACN-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc2c(NC3CCN(CCCOc4cccc5ccccc45)CC3)cccc2c1
InChIInChI=1S/C28H30N2O.2ClH/c1-3-12-25-22(8-1)10-5-14-27(25)29-24-16-19-30(20-17-24)18-7-21-31-28-15-6-11-23-9-2-4-13-26(23)28;;/h1-6,8-15,24,29H,7,16-21H2;2*1H
InChIKeyFJYKOCPWIUALFJ-UHFFFAOYSA-N
MW483.48 g/mol
LogP7.18
Rot. Bonds7

About N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride

N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride (PubChem CID 67761369) has the molecular formula C28H32Cl2N2O and a molecular weight of 483.48 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride
PubChem CID67761369
Molecular FormulaC28H32Cl2N2O
Molecular Weight483.48 g/mol
Exact Mass482.19
IUPAC NameN-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride
SMILESCl.Cl.c1ccc2c(NC3CCN(CCCOc4cccc5ccccc45)CC3)cccc2c1
InChIInChI=1S/C28H30N2O.2ClH/c1-3-12-25-22(8-1)10-5-14-27(25)29-24-16-19-30(20-17-24)18-7-21-31-28-15-6-11-23-9-2-4-13-26(23)28;;/h1-6,8-15,24,29H,7,16-21H2;2*1H
InChIKeyFJYKOCPWIUALFJ-UHFFFAOYSA-N
XLogP7.18
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 57.18
H-Bond Donors ≤ 51
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 N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride?
The IUPAC name of N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride (CID 67761369) is N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride is Cl.Cl.c1ccc2c(NC3CCN(CCCOc4cccc5ccccc45)CC3)cccc2c1.
What is the InChIKey of N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride?
The InChIKey is FJYKOCPWIUALFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O.2ClH/c1-3-12-25-22(8-1)10-5-14-27(25)29-24-16-19-30(20-17-24)18-7-21-31-28-15-6-11-23-9-2-4-13-26(23)28;;/h1-6,8-15,24,29H,7,16-21H2;2*1H.
What are the key properties of N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride?
N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride has a molecular weight of 483.48 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-(3-naphthalen-1-yloxypropyl)piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 67761369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).