2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine

C16H27N3O — CID 63343974

IUPAC2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-16(2,14-17)19-10-8-18(9-11-19)12-13-20-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3
InChIKeyWQSRWRRHGFYKSV-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.42
Rot. Bonds6

About 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine

2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine (PubChem CID 63343974) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
PubChem CID63343974
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine
SMILESCC(C)(CN)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C16H27N3O/c1-16(2,14-17)19-10-8-18(9-11-19)12-13-20-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3
InChIKeyWQSRWRRHGFYKSV-UHFFFAOYSA-N
XLogP1.42
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylbut-3-yn-2-yl)-4-(2-phenoxyethyl)piperazine
CID 146141999
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
1-(2-bromoethyl)-4-(2-phenoxyethyl)piperazine
CID 80674242
2-methyl-2-[4-(3-phenoxypropyl)piperazin-1-yl]propanenitrile
CID 63340060
1-(2-methylsulfonylethyl)-4-(2-phenoxyethyl)piperazine
CID 78792856
[1-(2-phenoxyethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119909793
4-(aminomethyl)-1-(2-phenoxyethyl)piperidin-4-ol
CID 95461531
1-(2-chloroethyl)-4-(2-phenoxyethyl)-1,4-diazepane
CID 63387533
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
1-(2-phenoxyethyl)piperidin-4-one
CID 70278679
1,4-bis(7-phenoxyheptyl)piperazine;dihydrochloride
CID 155568603
1-methyl-4-(5-phenoxypentyl)piperazine
CID 10515643

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine (CID 63343974) is 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine is CC(C)(CN)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine?
The InChIKey is WQSRWRRHGFYKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,14-17)19-10-8-18(9-11-19)12-13-20-15-6-4-3-5-7-15/h3-7H,8-14,17H2,1-2H3.
What are the key properties of 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine?
2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(2-phenoxyethyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 63343974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).