5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

C19H35Cl2N3O — CID 171307249

IUPAC5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1ccc(N(CC)CC)cc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H33N3O.2ClH/c1-4-7-8-18(22-13-11-20-12-14-22)17-10-9-16(15-19(17)23)21(5-2)6-3;;/h9-10,15,18,20,23H,4-8,11-14H2,1-3H3;2*1H/t18-;;/m1../s1
InChIKeyWMJHPTWKFMJGPK-JPKZNVRTSA-N
MW392.42 g/mol
LogP4.22
Rot. Bonds8

About 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride

5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (PubChem CID 171307249) has the molecular formula C19H35Cl2N3O and a molecular weight of 392.42 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.

Molecular Properties

Compound Name5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
PubChem CID171307249
Molecular FormulaC19H35Cl2N3O
Molecular Weight392.42 g/mol
Exact Mass391.22
IUPAC Name5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCCC[C@H](c1ccc(N(CC)CC)cc1O)N1CCNCC1.Cl.Cl
InChIInChI=1S/C19H33N3O.2ClH/c1-4-7-8-18(22-13-11-20-12-14-22)17-10-9-16(15-19(17)23)21(5-2)6-3;;/h9-10,15,18,20,23H,4-8,11-14H2,1-3H3;2*1H/t18-;;/m1../s1
InChIKeyWMJHPTWKFMJGPK-JPKZNVRTSA-N
XLogP4.22
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.22
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)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171308548
5-(diethylamino)-2-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171310598
5-(diethylamino)-2-[(1S)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171302291
4-[(1S)-1-piperazin-1-ylpentyl]benzene-1,3-diol;dihydrochloride
CID 171308726
2-[(1S)-2-cyclopropyl-1-piperazin-1-ylethyl]-5-(diethylamino)phenol;dihydrochloride
CID 171272322
5-methyl-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171308211
3-fluoro-4-[(1S)-1-piperazin-1-ylpentyl]phenol;dihydrochloride
CID 171308647
5-bromo-2-[(1R)-1-piperazin-1-ylhexyl]phenol
CID 171307789
5-(diethylamino)-2-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]phenol
CID 171284953
5-bromo-2-[(1S)-1-piperazin-1-ylhexyl]phenol
CID 171309087
5-(diethylamino)-2-[(R)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171272314
2-[(1R)-1-piperazin-1-ylhexyl]phenol;dihydrochloride
CID 171307505

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The IUPAC name of 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride (CID 171307249) is 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride.
What is the SMILES notation for 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The canonical SMILES for 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is CCCC[C@H](c1ccc(N(CC)CC)cc1O)N1CCNCC1.Cl.Cl.
What is the InChIKey of 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The InChIKey is WMJHPTWKFMJGPK-JPKZNVRTSA-N. The full InChI is InChI=1S/C19H33N3O.2ClH/c1-4-7-8-18(22-13-11-20-12-14-22)17-10-9-16(15-19(17)23)21(5-2)6-3;;/h9-10,15,18,20,23H,4-8,11-14H2,1-3H3;2*1H/t18-;;/m1../s1.
What are the key properties of 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride has a molecular weight of 392.42 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(1R)-1-piperazin-1-ylpentyl]phenol;dihydrochloride is sourced from PubChem (CID 171307249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).