5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one

C17H27N3O — CID 82846107

IUPAC5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(18)7-6-10-17(21)20-12-11-19(2)13-16(20)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3
InChIKeyDQEAMJLYZSSIPM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.02
Rot. Bonds5

About 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one

5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one (PubChem CID 82846107) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one.

Molecular Properties

Compound Name5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
PubChem CID82846107
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one
SMILESCC(N)CCCC(=O)N1CCN(C)CC1c1ccccc1
InChIInChI=1S/C17H27N3O/c1-14(18)7-6-10-17(21)20-12-11-19(2)13-16(20)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3
InChIKeyDQEAMJLYZSSIPM-UHFFFAOYSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one?
The IUPAC name of 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one (CID 82846107) is 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one.
What is the SMILES notation for 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one?
The canonical SMILES for 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one is CC(N)CCCC(=O)N1CCN(C)CC1c1ccccc1.
What is the InChIKey of 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one?
The InChIKey is DQEAMJLYZSSIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-14(18)7-6-10-17(21)20-12-11-19(2)13-16(20)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3.
What are the key properties of 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one?
5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one has a molecular weight of 289.42 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methyl-2-phenylpiperazin-1-yl)hexan-1-one is sourced from PubChem (CID 82846107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).