1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

C22H26F2N2O — CID 129279690

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESFc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C22H26F2N2O/c23-17-6-7-22(20(24)14-17)27-13-12-26-10-8-18(9-11-26)25-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,18-19,21,25H,8-13,15H2/t19-,21+/m0/s1
InChIKeyZDWNZFTWTFSEHO-PZJWPPBQSA-N
MW372.46 g/mol
LogP3.95
Rot. Bonds7

About 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine

1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 129279690) has the molecular formula C22H26F2N2O and a molecular weight of 372.46 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID129279690
Molecular FormulaC22H26F2N2O
Molecular Weight372.46 g/mol
Exact Mass372.20
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESFc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)c(F)c1
InChIInChI=1S/C22H26F2N2O/c23-17-6-7-22(20(24)14-17)27-13-12-26-10-8-18(9-11-26)25-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,18-19,21,25H,8-13,15H2/t19-,21+/m0/s1
InChIKeyZDWNZFTWTFSEHO-PZJWPPBQSA-N
XLogP3.95
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279729
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279734
1-[2-[4-(4-methylpiperazin-1-yl)phenoxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129280571
6-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]-3H-1,3-benzoxazol-2-one
CID 129280538
3-[4-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethoxy]phenyl]-1,3-oxazinan-2-one
CID 129279660
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
N-[2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethyl]benzenesulfonamide
CID 129279668
1-[2-(3,5-difluorophenoxy)ethyl]-N-[(2R)-2-phenylaziridin-1-yl]piperidin-4-amine
CID 163851119
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-phenylmethanol
CID 23553272

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 129279690) is 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is Fc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)c(F)c1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is ZDWNZFTWTFSEHO-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H26F2N2O/c23-17-6-7-22(20(24)14-17)27-13-12-26-10-8-18(9-11-26)25-21-15-19(21)16-4-2-1-3-5-16/h1-7,14,18-19,21,25H,8-13,15H2/t19-,21+/m0/s1.
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 372.46 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 129279690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).