N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine

C18H29FN2 — CID 83045538

IUPACN-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCCCC1CCCCN1c1ccc(CNC(C)C)cc1F
InChIInChI=1S/C18H29FN2/c1-4-7-16-8-5-6-11-21(16)18-10-9-15(12-17(18)19)13-20-14(2)3/h9-10,12,14,16,20H,4-8,11,13H2,1-3H3
InChIKeyDVOMVFHVAUPTKI-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.48
Rot. Bonds6

About N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine

N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine (PubChem CID 83045538) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
PubChem CID83045538
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC NameN-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine
SMILESCCCC1CCCCN1c1ccc(CNC(C)C)cc1F
InChIInChI=1S/C18H29FN2/c1-4-7-16-8-5-6-11-21(16)18-10-9-15(12-17(18)19)13-20-14(2)3/h9-10,12,14,16,20H,4-8,11,13H2,1-3H3
InChIKeyDVOMVFHVAUPTKI-UHFFFAOYSA-N
XLogP4.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(2-ethylpyrrolidin-1-yl)-3-fluorophenyl]methyl]propan-2-amine
CID 54885787
1-[4-(bromomethyl)-2-fluorophenyl]-2-propylpiperidine
CID 107084939
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]propan-1-amine
CID 43281717
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
N-[[4-(2-ethylpiperidin-1-yl)-3-fluorophenyl]methyl]-2-methylpropan-2-amine
CID 63060904
3-fluoro-4-(2-propylpiperidin-1-yl)benzonitrile
CID 83056403
N-[[3-chloro-4-(2-ethylpyrrolidin-1-yl)phenyl]methyl]propan-2-amine
CID 81149011
N-[[2-(2-ethylpiperidin-1-yl)-5-fluorophenyl]methyl]propan-2-amine
CID 43313933
N-[[3-fluoro-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 43542420
(1S)-1-[5-fluoro-2-(2-propylpiperidin-1-yl)phenyl]ethanol
CID 83056372
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidin-2-yl]methanol
CID 61407782
[1-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 63076088

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine (CID 83045538) is N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine is CCCC1CCCCN1c1ccc(CNC(C)C)cc1F.
What is the InChIKey of N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
The InChIKey is DVOMVFHVAUPTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-4-7-16-8-5-6-11-21(16)18-10-9-15(12-17(18)19)13-20-14(2)3/h9-10,12,14,16,20H,4-8,11,13H2,1-3H3.
What are the key properties of N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine?
N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine has a molecular weight of 292.44 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(2-propylpiperidin-1-yl)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 83045538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).