1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol

C20H21NOS — CID 2824718

IUPAC1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1cccs1)N1CCCCC1
InChIInChI=1S/C20H21NOS/c22-17-11-10-15-7-2-3-8-16(15)19(17)20(18-9-6-14-23-18)21-12-4-1-5-13-21/h2-3,6-11,14,20,22H,1,4-5,12-13H2
InChIKeyBSMWPQRBSSDOCB-UHFFFAOYSA-N
MW323.46 g/mol
LogP5.18
Rot. Bonds3

About 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol

1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol (PubChem CID 2824718) has the molecular formula C20H21NOS and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol
PubChem CID2824718
Molecular FormulaC20H21NOS
Molecular Weight323.46 g/mol
Exact Mass323.13
IUPAC Name1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1C(c1cccs1)N1CCCCC1
InChIInChI=1S/C20H21NOS/c22-17-11-10-15-7-2-3-8-16(15)19(17)20(18-9-6-14-23-18)21-12-4-1-5-13-21/h2-3,6-11,14,20,22H,1,4-5,12-13H2
InChIKeyBSMWPQRBSSDOCB-UHFFFAOYSA-N
XLogP5.18
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-yl(thiophen-2-yl)methyl]naphthalen-2-ol?
The IUPAC name of 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol (CID 2824718) is 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1C(c1cccs1)N1CCCCC1.
What is the InChIKey of 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol?
The InChIKey is BSMWPQRBSSDOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NOS/c22-17-11-10-15-7-2-3-8-16(15)19(17)20(18-9-6-14-23-18)21-12-4-1-5-13-21/h2-3,6-11,14,20,22H,1,4-5,12-13H2.
What are the key properties of 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol?
1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol has a molecular weight of 323.46 g/mol, XLogP of 5.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[piperidin-1-yl(thiophen-2-yl)methyl]naphthalen-2-ol is sourced from PubChem (CID 2824718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).