2-[1-(3-methylpiperazin-1-yl)propyl]phenol

C14H22N2O — CID 65417239

IUPAC2-[1-(3-methylpiperazin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CCNC(C)C1
InChIInChI=1S/C14H22N2O/c1-3-13(12-6-4-5-7-14(12)17)16-9-8-15-11(2)10-16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyYTZVOKBJWPTUNJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.14
Rot. Bonds3

About 2-[1-(3-methylpiperazin-1-yl)propyl]phenol

2-[1-(3-methylpiperazin-1-yl)propyl]phenol (PubChem CID 65417239) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[1-(3-methylpiperazin-1-yl)propyl]phenol.

Molecular Properties

Compound Name2-[1-(3-methylpiperazin-1-yl)propyl]phenol
PubChem CID65417239
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[1-(3-methylpiperazin-1-yl)propyl]phenol
SMILESCCC(c1ccccc1O)N1CCNC(C)C1
InChIInChI=1S/C14H22N2O/c1-3-13(12-6-4-5-7-14(12)17)16-9-8-15-11(2)10-16/h4-7,11,13,15,17H,3,8-10H2,1-2H3
InChIKeyYTZVOKBJWPTUNJ-UHFFFAOYSA-N
XLogP2.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.14
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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Related Compounds

2-[1-(3-aminoazetidin-1-yl)propyl]phenol
CID 65244387
2-[1-(3-phenylpyrrolidin-1-yl)propyl]phenol
CID 82957556
1-[1-(4-chlorophenyl)propyl]-3-methylpiperazine
CID 65418511
3-methyl-1-[1-[4-(trifluoromethyl)phenyl]propyl]piperazine
CID 176717060
2-[1-[2-(1-aminoethyl)morpholin-4-yl]propyl]phenol
CID 115314981
2-[1-(4-propylpiperazin-1-yl)propyl]phenol
CID 82975217
2-[1-[4-(methoxymethyl)piperidin-1-yl]propyl]phenol
CID 82980997
3-(3-methylpiperazin-1-yl)-3-phenylpropanenitrile
CID 65449769
2-[1-[4-(ethylaminomethyl)piperidin-1-yl]propyl]phenol
CID 80551485
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505
3-[(3S)-3-methylpiperazin-1-yl]-3-phenylpropanenitrile
CID 104976929
2-[1-(2-pyrrolidin-2-ylpyrrolidin-1-yl)propyl]phenol
CID 62275062

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methylpiperazin-1-yl)propyl]phenol?
The IUPAC name of 2-[1-(3-methylpiperazin-1-yl)propyl]phenol (CID 65417239) is 2-[1-(3-methylpiperazin-1-yl)propyl]phenol.
What is the SMILES notation for 2-[1-(3-methylpiperazin-1-yl)propyl]phenol?
The canonical SMILES for 2-[1-(3-methylpiperazin-1-yl)propyl]phenol is CCC(c1ccccc1O)N1CCNC(C)C1.
What is the InChIKey of 2-[1-(3-methylpiperazin-1-yl)propyl]phenol?
The InChIKey is YTZVOKBJWPTUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-13(12-6-4-5-7-14(12)17)16-9-8-15-11(2)10-16/h4-7,11,13,15,17H,3,8-10H2,1-2H3.
What are the key properties of 2-[1-(3-methylpiperazin-1-yl)propyl]phenol?
2-[1-(3-methylpiperazin-1-yl)propyl]phenol has a molecular weight of 234.34 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methylpiperazin-1-yl)propyl]phenol is sourced from PubChem (CID 65417239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).