N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine

C14H20F2N2O — CID 83007352

IUPACN-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
SMILESCC(NN1CCCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O/c1-11(17-18-8-3-2-4-9-18)12-6-5-7-13(10-12)19-14(15)16/h5-7,10-11,14,17H,2-4,8-9H2,1H3
InChIKeyRHBNIVAOYZIKIP-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.34
Rot. Bonds5

About N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine

N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine (PubChem CID 83007352) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
PubChem CID83007352
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC NameN-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
SMILESCC(NN1CCCCC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H20F2N2O/c1-11(17-18-8-3-2-4-9-18)12-6-5-7-13(10-12)19-14(15)16/h5-7,10-11,14,17H,2-4,8-9H2,1H3
InChIKeyRHBNIVAOYZIKIP-UHFFFAOYSA-N
XLogP3.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 43203420
N-[1-[3-(difluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43200712
N-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 94107373
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-yn-2-amine
CID 114415071
N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine
CID 83006799
N-[1-(3-methoxyphenyl)ethyl]-4-methylpiperazin-1-amine
CID 83010286
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2,2-difluoroethanamine
CID 113303620
1-[1-[3-(difluoromethoxy)phenyl]ethylamino]propan-2-ol
CID 43499288
N-[1-[3-(difluoromethoxy)phenyl]ethyl]but-3-en-2-amine
CID 115727882
(R)-N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-methylpropane-2-sulfinamide
CID 139414588
N-[1-[3-(difluoromethoxy)phenyl]ethyl]prop-2-en-1-amine
CID 43200528
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-methylsulfanylpropan-2-amine
CID 115721752

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine?
The IUPAC name of N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine (CID 83007352) is N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine.
What is the SMILES notation for N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine?
The canonical SMILES for N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine is CC(NN1CCCCC1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine?
The InChIKey is RHBNIVAOYZIKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-11(17-18-8-3-2-4-9-18)12-6-5-7-13(10-12)19-14(15)16/h5-7,10-11,14,17H,2-4,8-9H2,1H3.
What are the key properties of N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine?
N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine has a molecular weight of 270.32 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(difluoromethoxy)phenyl]ethyl]piperidin-1-amine is sourced from PubChem (CID 83007352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).