5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol

C20H26N2O — CID 122185207

IUPAC5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol
SMILESOc1cc(CCCc2ccccc2)ccc1CN1CCNCC1
InChIInChI=1S/C20H26N2O/c23-20-15-18(8-4-7-17-5-2-1-3-6-17)9-10-19(20)16-22-13-11-21-12-14-22/h1-3,5-6,9-10,15,21,23H,4,7-8,11-14,16H2
InChIKeySXZNZQCFINDBDS-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.97
Rot. Bonds6

About 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol

5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol (PubChem CID 122185207) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol.

Molecular Properties

Compound Name5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol
PubChem CID122185207
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol
SMILESOc1cc(CCCc2ccccc2)ccc1CN1CCNCC1
InChIInChI=1S/C20H26N2O/c23-20-15-18(8-4-7-17-5-2-1-3-6-17)9-10-19(20)16-22-13-11-21-12-14-22/h1-3,5-6,9-10,15,21,23H,4,7-8,11-14,16H2
InChIKeySXZNZQCFINDBDS-UHFFFAOYSA-N
XLogP2.97
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.97
H-Bond Donors ≤ 52
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 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol?
The IUPAC name of 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol (CID 122185207) is 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol.
What is the SMILES notation for 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol?
The canonical SMILES for 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol is Oc1cc(CCCc2ccccc2)ccc1CN1CCNCC1.
What is the InChIKey of 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol?
The InChIKey is SXZNZQCFINDBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c23-20-15-18(8-4-7-17-5-2-1-3-6-17)9-10-19(20)16-22-13-11-21-12-14-22/h1-3,5-6,9-10,15,21,23H,4,7-8,11-14,16H2.
What are the key properties of 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol?
5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol has a molecular weight of 310.44 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-2-(piperazin-1-ylmethyl)phenol is sourced from PubChem (CID 122185207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).