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

C17H29N3O — CID 116694950

IUPAC2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol
SMILESCCN1CCN(CCC(N)(CO)c2ccccc2)CC1C
InChIInChI=1S/C17H29N3O/c1-3-20-12-11-19(13-15(20)2)10-9-17(18,14-21)16-7-5-4-6-8-16/h4-8,15,21H,3,9-14,18H2,1-2H3
InChIKeyGQZNOEQFGMPFDZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.25
Rot. Bonds6

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

2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol (PubChem CID 116694950) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol.

Molecular Properties

Compound Name2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol
PubChem CID116694950
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol
SMILESCCN1CCN(CCC(N)(CO)c2ccccc2)CC1C
InChIInChI=1S/C17H29N3O/c1-3-20-12-11-19(13-15(20)2)10-9-17(18,14-21)16-7-5-4-6-8-16/h4-8,15,21H,3,9-14,18H2,1-2H3
InChIKeyGQZNOEQFGMPFDZ-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

2-amino-4-(3-methylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116695061
2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-phenylbutan-1-ol
CID 116694964
2-amino-2-phenylpentan-1-ol
CID 61056433
2-[2-(4-ethyl-3-methylpiperazin-1-yl)ethoxy]benzoic acid
CID 63608700
2-amino-3-(4-cyclopropylpiperazin-1-yl)-2-phenylpropan-1-ol
CID 64826847
4-(4-ethyl-3-methylpiperazin-1-yl)-2-methyl-2-(methylamino)butanoic acid
CID 63633318
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 63635824
4-[(4-ethyl-3-methylpiperazin-1-yl)methyl]benzoic acid
CID 63609405
3-[(4-ethyl-3-methylpiperazin-1-yl)methyl]-2-fluorobenzenecarbothioamide
CID 107115581
2-amino-2-phenyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64797987
3-[3-(4-ethyl-3-methylpiperazin-1-yl)propyl]aniline
CID 115342123
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(4-methylphenyl)propan-1-ol
CID 63620086

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol?
The IUPAC name of 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol (CID 116694950) is 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol.
What is the SMILES notation for 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol?
The canonical SMILES for 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol is CCN1CCN(CCC(N)(CO)c2ccccc2)CC1C.
What is the InChIKey of 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol?
The InChIKey is GQZNOEQFGMPFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-3-20-12-11-19(13-15(20)2)10-9-17(18,14-21)16-7-5-4-6-8-16/h4-8,15,21H,3,9-14,18H2,1-2H3.
What are the key properties of 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol?
2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-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 2-amino-4-(4-ethyl-3-methylpiperazin-1-yl)-2-phenylbutan-1-ol is sourced from PubChem (CID 116694950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).