3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine

C18H27FN2 — CID 43749170

IUPAC3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CN1CCCCC1)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C18H27FN2/c1-14(13-21-9-5-2-6-10-21)20-16-11-15(12-16)17-7-3-4-8-18(17)19/h3-4,7-8,14-16,20H,2,5-6,9-13H2,1H3
InChIKeyNLRQHEXIVZBRBE-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.54
Rot. Bonds5

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

3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine (PubChem CID 43749170) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
PubChem CID43749170
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC Name3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
SMILESCC(CN1CCCCC1)NC1CC(c2ccccc2F)C1
InChIInChI=1S/C18H27FN2/c1-14(13-21-9-5-2-6-10-21)20-16-11-15(12-16)17-7-3-4-8-18(17)19/h3-4,7-8,14-16,20H,2,5-6,9-13H2,1H3
InChIKeyNLRQHEXIVZBRBE-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-phenyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61472261
3-(3-fluorophenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471822
3-(4-methylphenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749167
3-[[3-(2-fluorophenyl)cyclobutyl]amino]butanamide
CID 115676927
3-(3-chlorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 43749174
3-propan-2-yl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 103561795
3-(4-methoxyphenyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 61471742
4-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115418345
N-(1-piperidin-1-ylpropan-2-yl)-3,4-dihydro-2H-chromen-4-amine
CID 43749078
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 104860074
(1R,3S)-3-[[3-(2-fluorophenyl)cyclobutyl]amino]-1-(furan-2-yl)butan-1-ol
CID 99621655
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(2-fluorophenyl)cyclobutan-1-amine
CID 81349466

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine (CID 43749170) is 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine is CC(CN1CCCCC1)NC1CC(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
The InChIKey is NLRQHEXIVZBRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-14(13-21-9-5-2-6-10-21)20-16-11-15(12-16)17-7-3-4-8-18(17)19/h3-4,7-8,14-16,20H,2,5-6,9-13H2,1H3.
What are the key properties of 3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine?
3-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)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-(2-fluorophenyl)-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 43749170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).