2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol

C19H25NOS — CID 122185203

IUPAC2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol
SMILESOc1cc(CCCc2cccs2)ccc1CN1CCCCC1
InChIInChI=1S/C19H25NOS/c21-19-14-16(6-4-7-18-8-5-13-22-18)9-10-17(19)15-20-11-2-1-3-12-20/h5,8-10,13-14,21H,1-4,6-7,11-12,15H2
InChIKeySCQAGTDOSNEVPY-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.61
Rot. Bonds6

About 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol

2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol (PubChem CID 122185203) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol
PubChem CID122185203
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol
SMILESOc1cc(CCCc2cccs2)ccc1CN1CCCCC1
InChIInChI=1S/C19H25NOS/c21-19-14-16(6-4-7-18-8-5-13-22-18)9-10-17(19)15-20-11-2-1-3-12-20/h5,8-10,13-14,21H,1-4,6-7,11-12,15H2
InChIKeySCQAGTDOSNEVPY-UHFFFAOYSA-N
XLogP4.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.61
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 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol?
The IUPAC name of 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol (CID 122185203) is 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol is Oc1cc(CCCc2cccs2)ccc1CN1CCCCC1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol?
The InChIKey is SCQAGTDOSNEVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c21-19-14-16(6-4-7-18-8-5-13-22-18)9-10-17(19)15-20-11-2-1-3-12-20/h5,8-10,13-14,21H,1-4,6-7,11-12,15H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol?
2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol has a molecular weight of 315.48 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-5-(3-thiophen-2-ylpropyl)phenol is sourced from PubChem (CID 122185203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).