N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine

C21H26N2O — CID 57051394

IUPACN-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine
SMILESC1=C(NOCCCN2CCCCC2)c2ccc3ccccc3c2C1
InChIInChI=1S/C21H26N2O/c1-4-13-23(14-5-1)15-6-16-24-22-21-12-11-19-18-8-3-2-7-17(18)9-10-20(19)21/h2-3,7-10,12,22H,1,4-6,11,13-16H2
InChIKeyAXIXRPLIEFJPOP-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.13
Rot. Bonds6

About N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine

N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine (PubChem CID 57051394) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine.

Molecular Properties

Compound NameN-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine
PubChem CID57051394
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine
SMILESC1=C(NOCCCN2CCCCC2)c2ccc3ccccc3c2C1
InChIInChI=1S/C21H26N2O/c1-4-13-23(14-5-1)15-6-16-24-22-21-12-11-19-18-8-3-2-7-17(18)9-10-20(19)21/h2-3,7-10,12,22H,1,4-6,11,13-16H2
InChIKeyAXIXRPLIEFJPOP-UHFFFAOYSA-N
XLogP4.13
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine?
The IUPAC name of N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine (CID 57051394) is N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine.
What is the SMILES notation for N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine?
The canonical SMILES for N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine is C1=C(NOCCCN2CCCCC2)c2ccc3ccccc3c2C1.
What is the InChIKey of N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine?
The InChIKey is AXIXRPLIEFJPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-4-13-23(14-5-1)15-6-16-24-22-21-12-11-19-18-8-3-2-7-17(18)9-10-20(19)21/h2-3,7-10,12,22H,1,4-6,11,13-16H2.
What are the key properties of N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine?
N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine has a molecular weight of 322.45 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylpropoxy)-1H-cyclopenta[a]naphthalen-3-amine is sourced from PubChem (CID 57051394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).