1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine

C14H23N3 — CID 79658342

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
SMILESCN1CCN(C)C(C(N)Cc2ccccc2)C1
InChIInChI=1S/C14H23N3/c1-16-8-9-17(2)14(11-16)13(15)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11,15H2,1-2H3
InChIKeyRFTKAXVMKFXSIU-UHFFFAOYSA-N
MW233.36 g/mol
LogP0.80
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine

1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine (PubChem CID 79658342) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
PubChem CID79658342
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine
SMILESCN1CCN(C)C(C(N)Cc2ccccc2)C1
InChIInChI=1S/C14H23N3/c1-16-8-9-17(2)14(11-16)13(15)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11,15H2,1-2H3
InChIKeyRFTKAXVMKFXSIU-UHFFFAOYSA-N
XLogP0.80
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-amino-2-(1,4-dimethylpiperazin-2-yl)ethyl]pyridin-2-amine
CID 79659414
1-(1,4-dimethylpiperazin-2-yl)-N-ethyl-3-phenylpropan-1-amine
CID 79658524
1-(1,4-dimethylpiperazin-2-yl)-4-methylpentan-1-amine
CID 79658576
1-(1,4-dimethyl-1,4-diazepan-2-yl)-2-(furan-2-yl)ethanamine
CID 83183174
1-(1,4-dimethylpiperazin-2-yl)-2-methoxyethanamine
CID 79659006
(2R)-2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide
CID 78953659
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-phenylpropanamide;trihydrochloride
CID 119903237
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076
2-amino-1-(2,4-dimethylpiperazin-1-yl)-3-phenylpropan-1-one
CID 103814570
2-(4-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658825
[2-(3-bromophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethyl]hydrazine
CID 105247302
2-(3-chlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanol
CID 79658979

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine (CID 79658342) is 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine is CN1CCN(C)C(C(N)Cc2ccccc2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine?
The InChIKey is RFTKAXVMKFXSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-16-8-9-17(2)14(11-16)13(15)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11,15H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine?
1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine has a molecular weight of 233.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-phenylethanamine is sourced from PubChem (CID 79658342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).