(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride

C21H27ClN2O — CID 6510152

IUPAC(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride
SMILESCl.c1ccc2c3c(ccc2c1)/C(=N\OCCCN1CCCCC1)CC3
InChIInChI=1S/C21H26N2O.ClH/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;/h2-3,7-10H,1,4-6,11-16H2;1H/b22-21-;
InChIKeyFKRUAZCIEQSLBQ-SVXKRPBISA-N
MW358.91 g/mol
LogP4.80
Rot. Bonds5

About (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride

(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride (PubChem CID 6510152) has the molecular formula C21H27ClN2O and a molecular weight of 358.91 g/mol. Its IUPAC name is (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride.

Molecular Properties

Compound Name(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride
PubChem CID6510152
Molecular FormulaC21H27ClN2O
Molecular Weight358.91 g/mol
Exact Mass358.18
IUPAC Name(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride
SMILESCl.c1ccc2c3c(ccc2c1)/C(=N\OCCCN1CCCCC1)CC3
InChIInChI=1S/C21H26N2O.ClH/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;/h2-3,7-10H,1,4-6,11-16H2;1H/b22-21-;
InChIKeyFKRUAZCIEQSLBQ-SVXKRPBISA-N
XLogP4.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.91
LogP ≤ 54.80
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 (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride?
The IUPAC name of (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride (CID 6510152) is (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride.
What is the SMILES notation for (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride?
The canonical SMILES for (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride is Cl.c1ccc2c3c(ccc2c1)/C(=N\OCCCN1CCCCC1)CC3.
What is the InChIKey of (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride?
The InChIKey is FKRUAZCIEQSLBQ-SVXKRPBISA-N. The full InChI is InChI=1S/C21H26N2O.ClH/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;/h2-3,7-10H,1,4-6,11-16H2;1H/b22-21-;.
What are the key properties of (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride?
(Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride has a molecular weight of 358.91 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-piperidin-1-ylpropoxy)-1,2-dihydrocyclopenta[a]naphthalen-3-imine;hydrochloride is sourced from PubChem (CID 6510152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).