1-(piperidin-1-ylmethyl)naphthalen-2-ol

C16H19NO — CID 21436

IUPAC1-(piperidin-1-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCCCC1
InChIInChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
InChIKeyWFZSFSMELSBBJO-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.53
Rot. Bonds2

About 1-(piperidin-1-ylmethyl)naphthalen-2-ol

1-(piperidin-1-ylmethyl)naphthalen-2-ol (PubChem CID 21436) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(piperidin-1-ylmethyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(piperidin-1-ylmethyl)naphthalen-2-ol
PubChem CID21436
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name1-(piperidin-1-ylmethyl)naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CN1CCCCC1
InChIInChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2
InChIKeyWFZSFSMELSBBJO-UHFFFAOYSA-N
XLogP3.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ylmethyl)naphthalen-2-ol?
The IUPAC name of 1-(piperidin-1-ylmethyl)naphthalen-2-ol (CID 21436) is 1-(piperidin-1-ylmethyl)naphthalen-2-ol.
What is the SMILES notation for 1-(piperidin-1-ylmethyl)naphthalen-2-ol?
The canonical SMILES for 1-(piperidin-1-ylmethyl)naphthalen-2-ol is Oc1ccc2ccccc2c1CN1CCCCC1.
What is the InChIKey of 1-(piperidin-1-ylmethyl)naphthalen-2-ol?
The InChIKey is WFZSFSMELSBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-16-9-8-13-6-2-3-7-14(13)15(16)12-17-10-4-1-5-11-17/h2-3,6-9,18H,1,4-5,10-12H2.
What are the key properties of 1-(piperidin-1-ylmethyl)naphthalen-2-ol?
1-(piperidin-1-ylmethyl)naphthalen-2-ol has a molecular weight of 241.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ylmethyl)naphthalen-2-ol is sourced from PubChem (CID 21436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).