2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride

C17H29Cl2N3O2 — CID 119873857

IUPAC2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
SMILESCCC(C)C(N)C(=O)N1CCN(Cc2cccc(O)c2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-3-13(2)16(18)17(22)20-9-7-19(8-10-20)12-14-5-4-6-15(21)11-14;;/h4-6,11,13,16,21H,3,7-10,12,18H2,1-2H3;2*1H
InChIKeyGHLKWBICPISXOC-UHFFFAOYSA-N
MW378.34 g/mol
LogP2.25
Rot. Bonds5

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

2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride (PubChem CID 119873857) has the molecular formula C17H29Cl2N3O2 and a molecular weight of 378.34 g/mol. Its IUPAC name is 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
PubChem CID119873857
Molecular FormulaC17H29Cl2N3O2
Molecular Weight378.34 g/mol
Exact Mass377.16
IUPAC Name2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
SMILESCCC(C)C(N)C(=O)N1CCN(Cc2cccc(O)c2)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O2.2ClH/c1-3-13(2)16(18)17(22)20-9-7-19(8-10-20)12-14-5-4-6-15(21)11-14;;/h4-6,11,13,16,21H,3,7-10,12,18H2,1-2H3;2*1H
InChIKeyGHLKWBICPISXOC-UHFFFAOYSA-N
XLogP2.25
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.34
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride with MolForge

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Related Compounds

2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
1-[4-[(3-aminophenyl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 58293892
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
3-amino-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-methylbutan-1-one;dihydrochloride
CID 120502539
2-amino-1-[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-3-methylpentan-1-one;hydrochloride
CID 119743462
2-amino-3-methyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pentan-1-one
CID 6305993
[(2S,3S)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]urea
CID 9183309
1-(4-benzylpiperazin-1-yl)-2-ethylbutan-1-one
CID 1092017
(2S,3S)-2-amino-3-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 61178548
2-amino-3-methyl-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119738906

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride?
The IUPAC name of 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride (CID 119873857) is 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride?
The canonical SMILES for 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride is CCC(C)C(N)C(=O)N1CCN(Cc2cccc(O)c2)CC1.Cl.Cl.
What is the InChIKey of 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride?
The InChIKey is GHLKWBICPISXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2.2ClH/c1-3-13(2)16(18)17(22)20-9-7-19(8-10-20)12-14-5-4-6-15(21)11-14;;/h4-6,11,13,16,21H,3,7-10,12,18H2,1-2H3;2*1H.
What are the key properties of 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride?
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride has a molecular weight of 378.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride is sourced from PubChem (CID 119873857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).