2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol

C17H29N3O — CID 79590215

IUPAC2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
SMILESCCCN1CCN(c2ccc(C(C)NCC)c(O)c2)CC1
InChIInChI=1S/C17H29N3O/c1-4-8-19-9-11-20(12-10-19)15-6-7-16(17(21)13-15)14(3)18-5-2/h6-7,13-14,18,21H,4-5,8-12H2,1-3H3
InChIKeyHPIDGMSCZSVHJH-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.59
Rot. Bonds6

About 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol

2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol (PubChem CID 79590215) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol.

Molecular Properties

Compound Name2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
PubChem CID79590215
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
SMILESCCCN1CCN(c2ccc(C(C)NCC)c(O)c2)CC1
InChIInChI=1S/C17H29N3O/c1-4-8-19-9-11-20(12-10-19)15-6-7-16(17(21)13-15)14(3)18-5-2/h6-7,13-14,18,21H,4-5,8-12H2,1-3H3
InChIKeyHPIDGMSCZSVHJH-UHFFFAOYSA-N
XLogP2.59
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.59
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

1-[4-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]piperazin-1-yl]ethanone
CID 79590209
5-(4-methyl-1,4-diazepan-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 79590219
1-[4-[1-(ethylamino)ethyl]-3-hydroxyphenyl]-4-methylazepan-4-ol
CID 107404966
5-(2,6-dimethylmorpholin-4-yl)-2-[1-(ethylamino)ethyl]phenol
CID 79600773
2-[1-(ethylamino)ethyl]-5-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]phenol
CID 114410444
2-[1-(ethylamino)ethyl]-5-[2-(hydroxymethyl)morpholin-4-yl]phenol
CID 81204822
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
CID 176934846
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
5-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-[1-(propylamino)ethyl]phenol
CID 106314690
5-(3-ethyl-4-methylpiperazin-1-yl)-2-[1-(methylamino)ethyl]phenol
CID 79603649
2-[1-(ethylamino)ethyl]-5-(3-ethylmorpholin-4-yl)phenol
CID 79600243
2-[1-(methylamino)ethyl]-5-(4-propan-2-ylpiperidin-1-yl)phenol
CID 103496849

Frequently Asked Questions

What is the IUPAC name of 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol?
The IUPAC name of 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol (CID 79590215) is 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol.
What is the SMILES notation for 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol?
The canonical SMILES for 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol is CCCN1CCN(c2ccc(C(C)NCC)c(O)c2)CC1.
What is the InChIKey of 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol?
The InChIKey is HPIDGMSCZSVHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-19-9-11-20(12-10-19)15-6-7-16(17(21)13-15)14(3)18-5-2/h6-7,13-14,18,21H,4-5,8-12H2,1-3H3.
What are the key properties of 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol?
2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol has a molecular weight of 291.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol is sourced from PubChem (CID 79590215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).