5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol

C19H33N3O — CID 171284953

IUPAC5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
SMILESCCN(CC)c1ccc([C@H](N2CCNCC2)C(C)(C)C)c(O)c1
InChIInChI=1S/C19H33N3O/c1-6-21(7-2)15-8-9-16(17(23)14-15)18(19(3,4)5)22-12-10-20-11-13-22/h8-9,14,18,20,23H,6-7,10-13H2,1-5H3/t18-/m0/s1
InChIKeyZIHRLISPDAHJJO-SFHVURJKSA-N
MW319.49 g/mol
LogP3.23
Rot. Bonds5

About 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol

5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol (PubChem CID 171284953) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol.

Molecular Properties

Compound Name5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
PubChem CID171284953
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Name5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
SMILESCCN(CC)c1ccc([C@H](N2CCNCC2)C(C)(C)C)c(O)c1
InChIInChI=1S/C19H33N3O/c1-6-21(7-2)15-8-9-16(17(23)14-15)18(19(3,4)5)22-12-10-20-11-13-22/h8-9,14,18,20,23H,6-7,10-13H2,1-5H3/t18-/m0/s1
InChIKeyZIHRLISPDAHJJO-SFHVURJKSA-N
XLogP3.23
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

5-(diethylamino)-2-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171302291
5-(diethylamino)-2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310598
5-(diethylamino)-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171272314
5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171307249
5-(diethylamino)-2-[(1S)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308548
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-5-(diethylamino)phenol;dihydrochloride
CID 171272322
5-(diethylamino)-2-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171284943
2-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol
CID 171162985
2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-4-fluorophenol;hydrochloride
CID 171168266
4-bromo-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171285517
1-[(1S)-1-(4-fluoro-2-methylphenyl)-2,2-dimethylpropyl]piperazine
CID 171163582
1-[(1S)-1-(2,3-difluoro-4-methylphenyl)-2,2-dimethylpropyl]piperazine
CID 171166689

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The IUPAC name of 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol (CID 171284953) is 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol.
What is the SMILES notation for 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The canonical SMILES for 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol is CCN(CC)c1ccc([C@H](N2CCNCC2)C(C)(C)C)c(O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
The InChIKey is ZIHRLISPDAHJJO-SFHVURJKSA-N. The full InChI is InChI=1S/C19H33N3O/c1-6-21(7-2)15-8-9-16(17(23)14-15)18(19(3,4)5)22-12-10-20-11-13-22/h8-9,14,18,20,23H,6-7,10-13H2,1-5H3/t18-/m0/s1.
What are the key properties of 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol?
5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol has a molecular weight of 319.49 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol is sourced from PubChem (CID 171284953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).