2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine

C16H22FN3 — CID 62556416

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3/c1-3-8-18-13-14(2)19-9-11-20(12-10-19)16-7-5-4-6-15(16)17/h1,4-7,14,18H,8-13H2,2H3
InChIKeyQIDATCQSXXVPAU-UHFFFAOYSA-N
MW275.37 g/mol
LogP1.56
Rot. Bonds5

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine (PubChem CID 62556416) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine
PubChem CID62556416
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine
SMILESC#CCNCC(C)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C16H22FN3/c1-3-8-18-13-14(2)19-9-11-20(12-10-19)16-7-5-4-6-15(16)17/h1,4-7,14,18H,8-13H2,2H3
InChIKeyQIDATCQSXXVPAU-UHFFFAOYSA-N
XLogP1.56
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-amine
CID 62437463
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
2-pyrrolidin-1-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propan-1-amine
CID 112727664
2-(4-methyl-1,4-diazepan-1-yl)-N-prop-2-ynylpropan-1-amine
CID 62558175
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]propanoate
CID 51074732
2-[4-(2-fluorophenyl)piperazin-1-yl]pentan-3-one
CID 64868635
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
CID 131935560
2-[4-(2-fluorophenyl)piperazin-1-yl]-3-methylpentan-1-amine
CID 60917598
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 46043420
(2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 93355134
2-[4-(2-fluorophenyl)piperazin-1-yl]-3,3-dimethylbutan-1-amine
CID 61325786
2-(4-butan-2-ylpiperazin-1-yl)-6-fluoroaniline
CID 62774418

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine (CID 62556416) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine is C#CCNCC(C)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine?
The InChIKey is QIDATCQSXXVPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-8-18-13-14(2)19-9-11-20(12-10-19)16-7-5-4-6-15(16)17/h1,4-7,14,18H,8-13H2,2H3.
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-prop-2-ynylpropan-1-amine is sourced from PubChem (CID 62556416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).