1-(pyren-1-ylmethyl)piperidin-3-ol

C22H21NO — CID 2846028

IUPAC1-(pyren-1-ylmethyl)piperidin-3-ol
SMILESOC1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1
InChIInChI=1S/C22H21NO/c24-19-5-2-12-23(14-19)13-18-9-8-17-7-6-15-3-1-4-16-10-11-20(18)22(17)21(15)16/h1,3-4,6-11,19,24H,2,5,12-14H2
InChIKeyQFTFZZJYAPSZFF-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.54
Rot. Bonds2

About 1-(pyren-1-ylmethyl)piperidin-3-ol

1-(pyren-1-ylmethyl)piperidin-3-ol (PubChem CID 2846028) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(pyren-1-ylmethyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(pyren-1-ylmethyl)piperidin-3-ol
PubChem CID2846028
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-(pyren-1-ylmethyl)piperidin-3-ol
SMILESOC1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1
InChIInChI=1S/C22H21NO/c24-19-5-2-12-23(14-19)13-18-9-8-17-7-6-15-3-1-4-16-10-11-20(18)22(17)21(15)16/h1,3-4,6-11,19,24H,2,5,12-14H2
InChIKeyQFTFZZJYAPSZFF-UHFFFAOYSA-N
XLogP4.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(pyren-1-ylmethyl)piperidin-3-ol?
The IUPAC name of 1-(pyren-1-ylmethyl)piperidin-3-ol (CID 2846028) is 1-(pyren-1-ylmethyl)piperidin-3-ol.
What is the SMILES notation for 1-(pyren-1-ylmethyl)piperidin-3-ol?
The canonical SMILES for 1-(pyren-1-ylmethyl)piperidin-3-ol is OC1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1.
What is the InChIKey of 1-(pyren-1-ylmethyl)piperidin-3-ol?
The InChIKey is QFTFZZJYAPSZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c24-19-5-2-12-23(14-19)13-18-9-8-17-7-6-15-3-1-4-16-10-11-20(18)22(17)21(15)16/h1,3-4,6-11,19,24H,2,5,12-14H2.
What are the key properties of 1-(pyren-1-ylmethyl)piperidin-3-ol?
1-(pyren-1-ylmethyl)piperidin-3-ol has a molecular weight of 315.42 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyren-1-ylmethyl)piperidin-3-ol is sourced from PubChem (CID 2846028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).