1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine

C16H26FN3 — CID 115415255

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1)CC1CN(C)CCN1C
InChIInChI=1S/C16H26FN3/c1-18-15(10-13-4-6-14(17)7-5-13)11-16-12-19(2)8-9-20(16)3/h4-7,15-16,18H,8-12H2,1-3H3
InChIKeyTZLVEQUPAPBPNF-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.59
Rot. Bonds5

About 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine

1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine (PubChem CID 115415255) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
PubChem CID115415255
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine
SMILESCNC(Cc1ccc(F)cc1)CC1CN(C)CCN1C
InChIInChI=1S/C16H26FN3/c1-18-15(10-13-4-6-14(17)7-5-13)11-16-12-19(2)8-9-20(16)3/h4-7,15-16,18H,8-12H2,1-3H3
InChIKeyTZLVEQUPAPBPNF-UHFFFAOYSA-N
XLogP1.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-methyl-3-(3-methylphenyl)propan-2-amine
CID 115415288
3-[3-(1,4-dimethylpiperazin-2-yl)-2-(methylamino)propyl]phenol
CID 115415228
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpentan-2-amine
CID 115415231
N-[2-(1,4-dimethylpiperazin-2-yl)-1-(4-fluorophenyl)ethyl]propan-1-amine
CID 115415645
[1-(3-chlorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-yl]hydrazine
CID 105260290
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-5-en-2-amine
CID 115415336
1-(1,4-dimethylpiperazin-2-yl)-N,4-dimethylpent-4-en-2-amine
CID 115415234
1-(1,4-dimethylpiperazin-2-yl)-N-methylhex-4-yn-2-amine
CID 115415360
1-(1,4-dimethylpiperazin-2-yl)-N-methylundecan-2-amine
CID 115415407
1-(1,4-dimethylpiperazin-2-yl)-3-(4-iodophenyl)propan-2-ol
CID 115414970
2-(1,4-dimethylpiperazin-2-yl)-1-(4-ethylphenyl)ethanamine
CID 115415177
1-(2,6-difluorophenyl)-3-(1,4-dimethylpiperazin-2-yl)propan-2-amine
CID 114932554

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine (CID 115415255) is 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine is CNC(Cc1ccc(F)cc1)CC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
The InChIKey is TZLVEQUPAPBPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-18-15(10-13-4-6-14(17)7-5-13)11-16-12-19(2)8-9-20(16)3/h4-7,15-16,18H,8-12H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine?
1-(1,4-dimethylpiperazin-2-yl)-3-(4-fluorophenyl)-N-methylpropan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 1.59, 5 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)-3-(4-fluorophenyl)-N-methylpropan-2-amine is sourced from PubChem (CID 115415255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).