(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one

C16H25N3O2 — CID 61173212

IUPAC(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-3-12(2)15(17)16(21)19-10-8-18(9-11-19)13-4-6-14(20)7-5-13/h4-7,12,15,20H,3,8-11,17H2,1-2H3/t12?,15-/m0/s1
InChIKeyFDXZVNWSYNIMCI-CVRLYYSRSA-N
MW291.39 g/mol
LogP1.41
Rot. Bonds4

About (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one

(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one (PubChem CID 61173212) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
PubChem CID61173212
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)[C@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C16H25N3O2/c1-3-12(2)15(17)16(21)19-10-8-18(9-11-19)13-4-6-14(20)7-5-13/h4-7,12,15,20H,3,8-11,17H2,1-2H3/t12?,15-/m0/s1
InChIKeyFDXZVNWSYNIMCI-CVRLYYSRSA-N
XLogP1.41
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 54868636
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119826928
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
CID 146400432
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857
2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 75513891
(2R)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 104907576
1-(4-ethylpiperazin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 78754651
propyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 69479549
ethyl 4-(2-amino-3-methylpentanoyl)piperazine-1-carboxylate
CID 61041155
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
(2S,3S)-2-amino-1-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 84597263

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one (CID 61173212) is (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one is CCC(C)[C@H](N)C(=O)N1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one?
The InChIKey is FDXZVNWSYNIMCI-CVRLYYSRSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-12(2)15(17)16(21)19-10-8-18(9-11-19)13-4-6-14(20)7-5-13/h4-7,12,15,20H,3,8-11,17H2,1-2H3/t12?,15-/m0/s1.
What are the key properties of (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one?
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one has a molecular weight of 291.39 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 61173212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).