N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine

C17H24FN3 — CID 103068745

IUPACN-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H24FN3/c1-14(12-19-15-6-7-15)13-20-8-10-21(11-9-20)17-5-3-2-4-16(17)18/h2-5,15,19H,1,6-13H2
InChIKeyGUZFUZPKDOZVAA-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.26
Rot. Bonds6

About N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine

N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine (PubChem CID 103068745) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
PubChem CID103068745
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)CN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C17H24FN3/c1-14(12-19-15-6-7-15)13-20-8-10-21(11-9-20)17-5-3-2-4-16(17)18/h2-5,15,19H,1,6-13H2
InChIKeyGUZFUZPKDOZVAA-UHFFFAOYSA-N
XLogP2.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
2-[4-(2-fluorophenyl)piperazin-1-yl]acetohydrazide
CID 63570220
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-phenylethanone
CID 51363004
N-(2,6-difluorophenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150835
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(oxolan-3-yl)ethanone
CID 104750092
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 31339544
N-[(2-fluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 26553275
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]acetamide
CID 32813152
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109029809
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 98750819
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 27150875

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine (CID 103068745) is N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)CN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is GUZFUZPKDOZVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c1-14(12-19-15-6-7-15)13-20-8-10-21(11-9-20)17-5-3-2-4-16(17)18/h2-5,15,19H,1,6-13H2.
What are the key properties of N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine?
N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 289.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103068745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).