N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine

C16H26FN3 — CID 80551034

IUPACN-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
SMILESCN(Cc1cccc(F)c1)CC(C)(C)N1CCNCC1
InChIInChI=1S/C16H26FN3/c1-16(2,20-9-7-18-8-10-20)13-19(3)12-14-5-4-6-15(17)11-14/h4-6,11,18H,7-10,12-13H2,1-3H3
InChIKeyYMFJDEBNMABTBJ-UHFFFAOYSA-N
MW279.40 g/mol
LogP1.94
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine

N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 80551034) has the molecular formula C16H26FN3 and a molecular weight of 279.40 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
PubChem CID80551034
Molecular FormulaC16H26FN3
Molecular Weight279.40 g/mol
Exact Mass279.21
IUPAC NameN-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
SMILESCN(Cc1cccc(F)c1)CC(C)(C)N1CCNCC1
InChIInChI=1S/C16H26FN3/c1-16(2,20-9-7-18-8-10-20)13-19(3)12-14-5-4-6-15(17)11-14/h4-6,11,18H,7-10,12-13H2,1-3H3
InChIKeyYMFJDEBNMABTBJ-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 115257984
N-[(3-fluorophenyl)methyl]-N-methylpiperazine-1-carboxamide
CID 28802293
N,2-dimethyl-N-[(5-methylfuran-2-yl)methyl]-2-piperazin-1-ylpropan-1-amine
CID 80551355
3-tert-butyl-N-[(3-fluorophenyl)methyl]-N-methyl-5-piperazin-1-ylbenzamide
CID 70645846
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66454766
1-[(3-fluorophenyl)methyl]piperazine;dihydrochloride
CID 53422102
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
1-[(3-fluorophenyl)methyl]-1-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)urea
CID 86999693
2-ethyl-2-[[(3-fluorophenyl)methyl-methylamino]methyl]butan-1-ol
CID 62271084
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
1-[1-(2,5-difluorophenyl)-2-methylpropan-2-yl]piperazine
CID 82298840
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine (CID 80551034) is N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine is CN(Cc1cccc(F)c1)CC(C)(C)N1CCNCC1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is YMFJDEBNMABTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26FN3/c1-16(2,20-9-7-18-8-10-20)13-19(3)12-14-5-4-6-15(17)11-14/h4-6,11,18H,7-10,12-13H2,1-3H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine?
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 279.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 80551034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).