1-(anthracen-9-ylmethyl)piperidin-3-ol

C20H21NO — CID 2845863

IUPAC1-(anthracen-9-ylmethyl)piperidin-3-ol
SMILESOC1CCCN(Cc2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C20H21NO/c22-17-8-5-11-21(13-17)14-20-18-9-3-1-6-15(18)12-16-7-2-4-10-19(16)20/h1-4,6-7,9-10,12,17,22H,5,8,11,13-14H2
InChIKeyKEEPUOQJKDMRFV-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.95
Rot. Bonds2

About 1-(anthracen-9-ylmethyl)piperidin-3-ol

1-(anthracen-9-ylmethyl)piperidin-3-ol (PubChem CID 2845863) has the molecular formula C20H21NO and a molecular weight of 291.39 g/mol. Its IUPAC name is 1-(anthracen-9-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(anthracen-9-ylmethyl)piperidin-3-ol
PubChem CID2845863
Molecular FormulaC20H21NO
Molecular Weight291.39 g/mol
Exact Mass291.16
IUPAC Name1-(anthracen-9-ylmethyl)piperidin-3-ol
SMILESOC1CCCN(Cc2c3ccccc3cc3ccccc23)C1
InChIInChI=1S/C20H21NO/c22-17-8-5-11-21(13-17)14-20-18-9-3-1-6-15(18)12-16-7-2-4-10-19(16)20/h1-4,6-7,9-10,12,17,22H,5,8,11,13-14H2
InChIKeyKEEPUOQJKDMRFV-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-9-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(anthracen-9-ylmethyl)piperidin-3-ol (CID 2845863) is 1-(anthracen-9-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(anthracen-9-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(anthracen-9-ylmethyl)piperidin-3-ol is OC1CCCN(Cc2c3ccccc3cc3ccccc23)C1.
What is the InChIKey of 1-(anthracen-9-ylmethyl)piperidin-3-ol?
The InChIKey is KEEPUOQJKDMRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO/c22-17-8-5-11-21(13-17)14-20-18-9-3-1-6-15(18)12-16-7-2-4-10-19(16)20/h1-4,6-7,9-10,12,17,22H,5,8,11,13-14H2.
What are the key properties of 1-(anthracen-9-ylmethyl)piperidin-3-ol?
1-(anthracen-9-ylmethyl)piperidin-3-ol has a molecular weight of 291.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-9-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 2845863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).