N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride

C14H19Cl2F5N2O — CID 141036211

IUPACN-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.FC(F)(F)C(F)(F)COc1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C14H17F5N2O.2ClH/c15-13(16,14(17,18)19)9-22-12-3-1-10(2-4-12)21-11-5-7-20-8-6-11;;/h1-4,11,20-21H,5-9H2;2*1H
InChIKeyFCYNILRXJBNVEG-UHFFFAOYSA-N
MW397.22 g/mol
LogP4.27
Rot. Bonds5

About N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride

N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride (PubChem CID 141036211) has the molecular formula C14H19Cl2F5N2O and a molecular weight of 397.22 g/mol. Its IUPAC name is N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
PubChem CID141036211
Molecular FormulaC14H19Cl2F5N2O
Molecular Weight397.22 g/mol
Exact Mass396.08
IUPAC NameN-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride
SMILESCl.Cl.FC(F)(F)C(F)(F)COc1ccc(NC2CCNCC2)cc1
InChIInChI=1S/C14H17F5N2O.2ClH/c15-13(16,14(17,18)19)9-22-12-3-1-10(2-4-12)21-11-5-7-20-8-6-11;;/h1-4,11,20-21H,5-9H2;2*1H
InChIKeyFCYNILRXJBNVEG-UHFFFAOYSA-N
XLogP4.27
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.22
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-(2,2,2-trifluoroethoxy)aniline
CID 103438948
N-(4-propoxyphenyl)piperidin-4-amine
CID 62327639
N-cyclohexyl-4-(2,2,2-trifluoroethoxy)aniline
CID 43686729
4-[4-(2,2,2-trifluoroethoxy)phenoxy]piperidine;hydrochloride
CID 66593025
N-[4-(1,1-difluoroethyl)phenyl]piperidin-4-amine
CID 115043703
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]azepan-4-amine
CID 103981038
1,1,1,3,3,3-hexafluoro-2-[4-[4-(piperidin-4-ylamino)phenyl]phenyl]propan-2-ol
CID 86724904
N-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 43455238
N-[4-(2,2,2-trifluoroethoxy)phenyl]thiolan-3-amine
CID 43686705
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
4-N-tert-butyl-1-N-piperidin-4-ylbenzene-1,4-diamine
CID 71251070
N-[4-[4-[4-(piperidin-4-ylamino)-2-(trifluoromethyl)phenoxy]phenoxy]phenyl]piperidin-3-amine
CID 123175116

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride (CID 141036211) is N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride is Cl.Cl.FC(F)(F)C(F)(F)COc1ccc(NC2CCNCC2)cc1.
What is the InChIKey of N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride?
The InChIKey is FCYNILRXJBNVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F5N2O.2ClH/c15-13(16,14(17,18)19)9-22-12-3-1-10(2-4-12)21-11-5-7-20-8-6-11;;/h1-4,11,20-21H,5-9H2;2*1H.
What are the key properties of N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride?
N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride has a molecular weight of 397.22 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 141036211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).