1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol

C17H29N3O — CID 116695850

IUPAC1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
SMILESCCC1CN(CCC(O)(CN)c2ccccc2)CCN1C
InChIInChI=1S/C17H29N3O/c1-3-16-13-20(12-11-19(16)2)10-9-17(21,14-18)15-7-5-4-6-8-15/h4-8,16,21H,3,9-14,18H2,1-2H3
InChIKeyYRWHFXHKFNJXHP-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.25
Rot. Bonds6

About 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol

1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol (PubChem CID 116695850) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol.

Molecular Properties

Compound Name1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
PubChem CID116695850
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol
SMILESCCC1CN(CCC(O)(CN)c2ccccc2)CCN1C
InChIInChI=1S/C17H29N3O/c1-3-16-13-20(12-11-19(16)2)10-9-17(21,14-18)15-7-5-4-6-8-15/h4-8,16,21H,3,9-14,18H2,1-2H3
InChIKeyYRWHFXHKFNJXHP-UHFFFAOYSA-N
XLogP1.25
TPSA52.73 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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Trihexyphenidyl
CID 5572
Pridinol
CID 4904
Diphenidol
CID 3055
Trihexyphenidyl Hydrochloride
CID 66007
Pipradrol
CID 10083
Cycrimine
CID 2911
Hexocyclium
CID 24199
Tridihexethyl
CID 20299
Tridihexethyl Chloride
CID 20298
Cycrimine Hydrochloride
CID 101597
Tral
CID 101587
4-Phenylpiperidin-4-ol
CID 96387

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol?
The IUPAC name of 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol (CID 116695850) is 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol.
What is the SMILES notation for 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol?
The canonical SMILES for 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol is CCC1CN(CCC(O)(CN)c2ccccc2)CCN1C.
What is the InChIKey of 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol?
The InChIKey is YRWHFXHKFNJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-16-13-20(12-11-19(16)2)10-9-17(21,14-18)15-7-5-4-6-8-15/h4-8,16,21H,3,9-14,18H2,1-2H3.
What are the key properties of 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol?
1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol has a molecular weight of 291.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-phenylbutan-2-ol is sourced from PubChem (CID 116695850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).