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

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Related Compounds

1-amino-4-(2-ethylmorpholin-4-yl)-2-phenylbutan-2-ol
CID 116695777
1-amino-4-(3,4-dimethoxypyrrolidin-1-yl)-2-phenylbutan-2-ol
CID 103540862
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-amino-2-phenylbutan-2-ol
CID 116695944
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-2-ol
CID 79360842
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethyl-2-phenylpropan-1-amine
CID 63619903
2-amino-4-(3-ethyl-4-methylpiperazin-1-yl)-2-methylbutan-1-ol
CID 64787261
1-amino-3-(3-ethylpiperidin-1-yl)-2-phenylpropan-2-ol
CID 64821785
1-amino-4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylbutan-2-ol
CID 102887348
2-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-methylpentan-1-amine
CID 63621256
6-(3-ethyl-4-methylpiperazin-1-yl)-3,3-dimethylhexan-1-amine
CID 65295738
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63619578
1-amino-2-phenyl-3-(4-propylpiperidin-1-yl)propan-2-ol
CID 64820712

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).