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

C22H26Cl2N2O — CID 129279729

IUPAC1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESClc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O/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
InChIKeyVHVHFAWUQJOZCW-PZJWPPBQSA-N
MW405.37 g/mol
LogP4.98
Rot. Bonds7

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

1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (PubChem CID 129279729) has the molecular formula C22H26Cl2N2O and a molecular weight of 405.37 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
PubChem CID129279729
Molecular FormulaC22H26Cl2N2O
Molecular Weight405.37 g/mol
Exact Mass404.14
IUPAC Name1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
SMILESClc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1
InChIInChI=1S/C22H26Cl2N2O/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
InChIKeyVHVHFAWUQJOZCW-PZJWPPBQSA-N
XLogP4.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.37
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine with MolForge

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Related Compounds

1-[2-(2,4-difluorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279690
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
1-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)oxy]ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 129279734
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-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
CID 91459026
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
1-[2-(2,5-dichlorophenoxy)ethyl]-4-methylpiperidine
CID 2364331
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61233711
N-[(1-benzylpiperidin-4-yl)carbamothioyl]-4-(2,4-dichlorophenoxy)butanamide
CID 17176588

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The IUPAC name of 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine (CID 129279729) is 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is Clc1ccc(OCCN2CCC(N[C@@H]3C[C@H]3c3ccccc3)CC2)c(Cl)c1.
What is the InChIKey of 1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
The InChIKey is VHVHFAWUQJOZCW-PZJWPPBQSA-N. The full InChI is InChI=1S/C22H26Cl2N2O/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-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine?
1-[2-(2,4-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine has a molecular weight of 405.37 g/mol, XLogP of 4.98, 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-dichlorophenoxy)ethyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine is sourced from PubChem (CID 129279729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).