N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine

C20H24N2O — CID 3074436

IUPACN-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
SMILESc1ccc2c3c(ccc2c1)C(=NOCCN1CCCCC1)CC3
InChIInChI=1S/C20H24N2O/c1-4-12-22(13-5-1)14-15-23-21-20-11-10-18-17-7-3-2-6-16(17)8-9-19(18)20/h2-3,6-9H,1,4-5,10-15H2
InChIKeyLDSNZCUCRWAUQO-UHFFFAOYSA-N
MW308.42 g/mol
LogP3.99
Rot. Bonds4

About N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine

N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine (PubChem CID 3074436) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine.

Molecular Properties

Compound NameN-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
PubChem CID3074436
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC NameN-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine
SMILESc1ccc2c3c(ccc2c1)C(=NOCCN1CCCCC1)CC3
InChIInChI=1S/C20H24N2O/c1-4-12-22(13-5-1)14-15-23-21-20-11-10-18-17-7-3-2-6-16(17)8-9-19(18)20/h2-3,6-9H,1,4-5,10-15H2
InChIKeyLDSNZCUCRWAUQO-UHFFFAOYSA-N
XLogP3.99
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine?
The IUPAC name of N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine (CID 3074436) is N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine.
What is the SMILES notation for N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine?
The canonical SMILES for N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine is c1ccc2c3c(ccc2c1)C(=NOCCN1CCCCC1)CC3.
What is the InChIKey of N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine?
The InChIKey is LDSNZCUCRWAUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-4-12-22(13-5-1)14-15-23-21-20-11-10-18-17-7-3-2-6-16(17)8-9-19(18)20/h2-3,6-9H,1,4-5,10-15H2.
What are the key properties of N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine?
N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine has a molecular weight of 308.42 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylethoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine is sourced from PubChem (CID 3074436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).