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

C22H27FN2 — CID 118302885

IUPAC(1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)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-BPGUCPLFSA-N
MW338.47 g/mol
LogP3.88
Rot. Bonds6

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

(1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 118302885) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound Name(1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID118302885
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name(1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)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-BPGUCPLFSA-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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Related Compounds

Prenylamine
CID 9801
1-(Bis(4-fluorophenyl)methyl)piperazine
CID 152932
4-Benzhydrylpiperidine
CID 88278
2-Diphenylmethylpiperidine
CID 160506
4-(4-Fluoro-benzyl)-piperidine
CID 3699841
Iadademstat
CID 71543365
Gsk-lsd1
CID 71522234
Iadademstat dihydrochloride
CID 71664305
Pramiverine
CID 71681
1-Phenyl-3-azabicyclo[3.1.0]hexane
CID 10130094
1-Biphenyl-4-yl-3-aza-bicyclo[3.1.0]hexane
CID 13279027
GSK-LSD1 Dihydrochloride
CID 91663353

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (CID 118302885) is (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is Fc1ccc(CC2(CN[C@@H]3CC3c3ccccc3)CCNCC2)cc1.
What is the InChIKey of (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is FNAOPIBVPXLYKI-BPGUCPLFSA-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 (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
(1R)-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 (1R)-N-[[4-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 118302885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).