1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine

C18H29FN2 — CID 114871000

IUPAC1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
SMILESCCC(NCCCN1CCCCC1C)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-18(16-9-6-10-17(19)14-16)20-11-7-13-21-12-5-4-8-15(21)2/h6,9-10,14-15,18,20H,3-5,7-8,11-13H2,1-2H3
InChIKeyMKVGKDGUDABTQA-UHFFFAOYSA-N
MW292.44 g/mol
LogP4.13
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine

1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine (PubChem CID 114871000) has the molecular formula C18H29FN2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
PubChem CID114871000
Molecular FormulaC18H29FN2
Molecular Weight292.44 g/mol
Exact Mass292.23
IUPAC Name1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
SMILESCCC(NCCCN1CCCCC1C)c1cccc(F)c1
InChIInChI=1S/C18H29FN2/c1-3-18(16-9-6-10-17(19)14-16)20-11-7-13-21-12-5-4-8-15(21)2/h6,9-10,14-15,18,20H,3-5,7-8,11-13H2,1-2H3
InChIKeyMKVGKDGUDABTQA-UHFFFAOYSA-N
XLogP4.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43095992
N-[2-(azepan-1-yl)ethyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871459
N-(3-cyclohexyloxypropyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871123
N-[1-(3-methylphenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43760694
N-[1-(3-bromophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43193187
N-(2-cyclobutylethyl)-1-(3-fluorophenyl)propan-1-amine
CID 114871847
N-[1-(3-fluorophenyl)propyl]-2,6-dimethylpiperidin-1-amine
CID 114871776
1-(3-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-ol
CID 62645250
1-(3-fluorophenyl)-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114871153
3,3-bis(3-fluorophenyl)-N-(1-phenylpropyl)propan-1-amine
CID 20642678
N-[1-(2-chlorophenyl)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43080661
1-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propan-1-amine
CID 43094241

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine?
The IUPAC name of 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine (CID 114871000) is 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine?
The canonical SMILES for 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine is CCC(NCCCN1CCCCC1C)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine?
The InChIKey is MKVGKDGUDABTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN2/c1-3-18(16-9-6-10-17(19)14-16)20-11-7-13-21-12-5-4-8-15(21)2/h6,9-10,14-15,18,20H,3-5,7-8,11-13H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine?
1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine has a molecular weight of 292.44 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[3-(2-methylpiperidin-1-yl)propyl]propan-1-amine is sourced from PubChem (CID 114871000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).