3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine

C18H27FN2 — CID 61018189

IUPAC3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2cccc(F)c2)C1)N1CCCCC1
InChIInChI=1S/C18H27FN2/c1-14(21-8-3-2-4-9-21)13-20-18-11-16(12-18)15-6-5-7-17(19)10-15/h5-7,10,14,16,18,20H,2-4,8-9,11-13H2,1H3
InChIKeyMNEUHMUKLFCSNW-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.54
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine

3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine (PubChem CID 61018189) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
PubChem CID61018189
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
SMILESCC(CNC1CC(c2cccc(F)c2)C1)N1CCCCC1
InChIInChI=1S/C18H27FN2/c1-14(21-8-3-2-4-9-21)13-20-18-11-16(12-18)15-6-5-7-17(19)10-15/h5-7,10,14,16,18,20H,2-4,8-9,11-13H2,1H3
InChIKeyMNEUHMUKLFCSNW-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
3-(2-methylphenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine
CID 61018599
3-(3-fluorophenyl)-N-prop-2-ynylcyclobutan-1-amine
CID 43632505
1-ethyl-5-(3-fluorophenyl)-N-(2-methylpropyl)piperidin-3-amine
CID 83994200
3-(3-fluorophenyl)-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 54954901
3-(3-fluorophenyl)-N-(1-thiophen-2-ylethyl)cyclobutan-1-amine
CID 43634625
3-(3-fluorophenyl)-N-[1-(2-fluorophenyl)ethyl]cyclobutan-1-amine
CID 60926948
3-(3-fluorophenyl)-N-(1-phenylpropan-2-yl)cyclobutan-1-amine
CID 63010559
3-(3-fluorophenyl)-N-(2-methyl-1-thiophen-2-ylpropyl)cyclobutan-1-amine
CID 43723065
N-(2-ethoxy-2-methylpropyl)-3-(3-fluorophenyl)cyclobutan-1-amine
CID 114940872
3-(3-methylphenyl)-N-(2-methylpropyl)cyclobutan-1-amine
CID 43632690
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine (CID 61018189) is 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine is CC(CNC1CC(c2cccc(F)c2)C1)N1CCCCC1.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
The InChIKey is MNEUHMUKLFCSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14(21-8-3-2-4-9-21)13-20-18-11-16(12-18)15-6-5-7-17(19)10-15/h5-7,10,14,16,18,20H,2-4,8-9,11-13H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine?
3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine has a molecular weight of 290.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-piperidin-1-ylpropyl)cyclobutan-1-amine is sourced from PubChem (CID 61018189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).