2-[1-(4-propylpiperazin-1-yl)propyl]phenol

C16H26N2O — CID 82975217

IUPAC2-[1-(4-propylpiperazin-1-yl)propyl]phenol
SMILESCCCN1CCN(C(CC)c2ccccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-3-9-17-10-12-18(13-11-17)15(4-2)14-7-5-6-8-16(14)19/h5-8,15,19H,3-4,9-13H2,1-2H3
InChIKeyZUWUZGLPMJKGDU-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.87
Rot. Bonds5

About 2-[1-(4-propylpiperazin-1-yl)propyl]phenol

2-[1-(4-propylpiperazin-1-yl)propyl]phenol (PubChem CID 82975217) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[1-(4-propylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name2-[1-(4-propylpiperazin-1-yl)propyl]phenol
PubChem CID82975217
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[1-(4-propylpiperazin-1-yl)propyl]phenol
SMILESCCCN1CCN(C(CC)c2ccccc2O)CC1
InChIInChI=1S/C16H26N2O/c1-3-9-17-10-12-18(13-11-17)15(4-2)14-7-5-6-8-16(14)19/h5-8,15,19H,3-4,9-13H2,1-2H3
InChIKeyZUWUZGLPMJKGDU-UHFFFAOYSA-N
XLogP2.87
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.87
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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Related Compounds

2-[1-(3,3,4-trimethylpiperazin-1-yl)propyl]phenol
CID 82980842
2-(2-ethylphenyl)-2-(4-propylpiperazin-1-yl)ethanamine
CID 62392807
2-[1-[4-(methoxymethyl)piperidin-1-yl]propyl]phenol
CID 82980997
2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
2-[1-(3-methylpiperazin-1-yl)propyl]phenol
CID 65417239
1-[1-(2-chlorophenyl)propyl]-4-methylpiperazine
CID 67966584
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
4-[2-amino-1-(4-propylpiperazin-1-yl)ethyl]-2-methoxyphenol
CID 16789817
1-[2-(4-propylpiperazin-1-yl)phenyl]ethanol
CID 43510167
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62623999
3-phenyl-3-(4-propylpiperazin-1-yl)propanimidamide
CID 62780083

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-propylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 2-[1-(4-propylpiperazin-1-yl)propyl]phenol (CID 82975217) is 2-[1-(4-propylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 2-[1-(4-propylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 2-[1-(4-propylpiperazin-1-yl)propyl]phenol is CCCN1CCN(C(CC)c2ccccc2O)CC1.
What is the InChIKey of 2-[1-(4-propylpiperazin-1-yl)propyl]phenol?
The InChIKey is ZUWUZGLPMJKGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-17-10-12-18(13-11-17)15(4-2)14-7-5-6-8-16(14)19/h5-8,15,19H,3-4,9-13H2,1-2H3.
What are the key properties of 2-[1-(4-propylpiperazin-1-yl)propyl]phenol?
2-[1-(4-propylpiperazin-1-yl)propyl]phenol has a molecular weight of 262.40 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 82975217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).