1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine

C14H22FN3 — CID 116960972

IUPAC1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccc(F)cc1)C(C)N1CCNCC1
InChIInChI=1S/C14H22FN3/c1-11(18-9-7-17-8-10-18)14(16-2)12-3-5-13(15)6-4-12/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyDLQVKNGGYBMVAL-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.38
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine

1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine (PubChem CID 116960972) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
PubChem CID116960972
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
SMILESCNC(c1ccc(F)cc1)C(C)N1CCNCC1
InChIInChI=1S/C14H22FN3/c1-11(18-9-7-17-8-10-18)14(16-2)12-3-5-13(15)6-4-12/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyDLQVKNGGYBMVAL-UHFFFAOYSA-N
XLogP1.38
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960974
1-(4-fluoro-3-methylphenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine
CID 116960976
N-methyl-2-piperazin-1-yl-1-pyridin-4-ylpropan-1-amine
CID 116960994
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-3-yl)propan-1-amine
CID 116960983
N-methyl-1-(2-methylphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116960987
N-methyl-2-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116960982
1-[1-[4-(4-fluorophenyl)phenyl]ethyl]piperazine
CID 22760403
1-[1-(4-fluorophenyl)-3-methylbutyl]piperazine
CID 82297595
(4-fluorophenyl)-piperazin-1-ylmethanamine
CID 116939727
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
4-(1-hydroxy-2-piperazin-1-ylpropyl)phenol
CID 82263328
N-methyl-1-(4-methylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103495133

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine (CID 116960972) is 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine is CNC(c1ccc(F)cc1)C(C)N1CCNCC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
The InChIKey is DLQVKNGGYBMVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-11(18-9-7-17-8-10-18)14(16-2)12-3-5-13(15)6-4-12/h3-6,11,14,16-17H,7-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine?
1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine has a molecular weight of 251.35 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-2-piperazin-1-ylpropan-1-amine is sourced from PubChem (CID 116960972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).