1-anthracen-1-ylpiperidine

C19H19N — CID 87717909

IUPAC1-anthracen-1-ylpiperidine
SMILESc1ccc2cc3c(N4CCCCC4)cccc3cc2c1
InChIInChI=1S/C19H19N/c1-4-11-20(12-5-1)19-10-6-9-17-13-15-7-2-3-8-16(15)14-18(17)19/h2-3,6-10,13-14H,1,4-5,11-12H2
InChIKeyFSKWPPHPNMDEAE-UHFFFAOYSA-N
MW261.37 g/mol
LogP4.98
Rot. Bonds1

About 1-anthracen-1-ylpiperidine

1-anthracen-1-ylpiperidine (PubChem CID 87717909) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-anthracen-1-ylpiperidine.

Molecular Properties

Compound Name1-anthracen-1-ylpiperidine
PubChem CID87717909
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Name1-anthracen-1-ylpiperidine
SMILESc1ccc2cc3c(N4CCCCC4)cccc3cc2c1
InChIInChI=1S/C19H19N/c1-4-11-20(12-5-1)19-10-6-9-17-13-15-7-2-3-8-16(15)14-18(17)19/h2-3,6-10,13-14H,1,4-5,11-12H2
InChIKeyFSKWPPHPNMDEAE-UHFFFAOYSA-N
XLogP4.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-anthracen-1-ylpiperidine?
The IUPAC name of 1-anthracen-1-ylpiperidine (CID 87717909) is 1-anthracen-1-ylpiperidine.
What is the SMILES notation for 1-anthracen-1-ylpiperidine?
The canonical SMILES for 1-anthracen-1-ylpiperidine is c1ccc2cc3c(N4CCCCC4)cccc3cc2c1.
What is the InChIKey of 1-anthracen-1-ylpiperidine?
The InChIKey is FSKWPPHPNMDEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N/c1-4-11-20(12-5-1)19-10-6-9-17-13-15-7-2-3-8-16(15)14-18(17)19/h2-3,6-10,13-14H,1,4-5,11-12H2.
What are the key properties of 1-anthracen-1-ylpiperidine?
1-anthracen-1-ylpiperidine has a molecular weight of 261.37 g/mol, XLogP of 4.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anthracen-1-ylpiperidine is sourced from PubChem (CID 87717909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).