N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

C17H26FN3 — CID 43281201

IUPACN-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCN1CCN(c2ccc(CNC3CC3)cc2F)CC1
InChIInChI=1S/C17H26FN3/c1-2-7-20-8-10-21(11-9-20)17-6-3-14(12-16(17)18)13-19-15-4-5-15/h3,6,12,15,19H,2,4-5,7-11,13H2,1H3
InChIKeyCFLVUPWPXLHEDF-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.61
Rot. Bonds6

About N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine

N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (PubChem CID 43281201) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
PubChem CID43281201
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC NameN-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine
SMILESCCCN1CCN(c2ccc(CNC3CC3)cc2F)CC1
InChIInChI=1S/C17H26FN3/c1-2-7-20-8-10-21(11-9-20)17-6-3-14(12-16(17)18)13-19-15-4-5-15/h3,6,12,15,19H,2,4-5,7-11,13H2,1H3
InChIKeyCFLVUPWPXLHEDF-UHFFFAOYSA-N
XLogP2.61
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methanol
CID 28945751
2-fluoro-4-[[(1-propylpiperidin-4-yl)amino]methyl]benzoic acid
CID 106699931
N-[[4-[(4-propylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423801
N-[[2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 62279976
N-[(3,5-difluorophenyl)methyl]-1-propylpiperidin-4-amine
CID 115708311
[4-[(cyclopropylamino)methyl]-2-fluorophenyl]boronic acid
CID 56776658
N-[(4-bromo-3-fluorophenyl)methyl]-1-butylpiperidin-4-amine
CID 81002478
N-[(4-fluoro-3-piperidin-1-ylphenyl)methyl]cyclopropanamine
CID 84753903
N-[[4-(4-ethylpiperazin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060171
N-[[4-fluoro-3-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 107453756
N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
CID 105388892
N-[(4-iodophenyl)methyl]-1-propylpiperidin-4-amine
CID 65479012

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine (CID 43281201) is N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is CCCN1CCN(c2ccc(CNC3CC3)cc2F)CC1.
What is the InChIKey of N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
The InChIKey is CFLVUPWPXLHEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c1-2-7-20-8-10-21(11-9-20)17-6-3-14(12-16(17)18)13-19-15-4-5-15/h3,6,12,15,19H,2,4-5,7-11,13H2,1H3.
What are the key properties of N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine?
N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine has a molecular weight of 291.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-propylpiperazin-1-yl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 43281201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).