trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

C22H27FN2 — CID 118290222

IUPACtrans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFc1ccc(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C22H27FN2/c23-19-8-6-17(7-9-19)15-22(10-12-24-13-11-22)16-25-21-14-20(21)18-4-2-1-3-5-18/h1-9,20-21,24-25H,10-16H2/t20-,21+/m1/s1
InChIKeyFNAOPIBVPXLYKI-RTWAWAEBSA-N
MW338.47 g/mol
LogP3.88
Rot. Bonds6

About trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 118290222) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Nametrans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID118290222
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Nametrans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFc1ccc(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CCNCC2)cc1
InChIInChI=1S/C22H27FN2/c23-19-8-6-17(7-9-19)15-22(10-12-24-13-11-22)16-25-21-14-20(21)18-4-2-1-3-5-18/h1-9,20-21,24-25H,10-16H2/t20-,21+/m1/s1
InChIKeyFNAOPIBVPXLYKI-RTWAWAEBSA-N
XLogP3.88
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (CID 118290222) is trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is Fc1ccc(CC2(CN[C@H]3C[C@@H]3c3ccccc3)CCNCC2)cc1.
What is the InChIKey of trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is FNAOPIBVPXLYKI-RTWAWAEBSA-N. The full InChI is InChI=1S/C22H27FN2/c23-19-8-6-17(7-9-19)15-22(10-12-24-13-11-22)16-25-21-14-20(21)18-4-2-1-3-5-18/h1-9,20-21,24-25H,10-16H2/t20-,21+/m1/s1.
What are the key properties of trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 338.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 118290222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).