N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine

C16H24F2N2O — CID 106622609

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(OC(F)F)cc1)CC1CCCCN1
InChIInChI=1S/C16H24F2N2O/c1-2-20(12-14-5-3-4-10-19-14)11-13-6-8-15(9-7-13)21-16(17)18/h6-9,14,16,19H,2-5,10-12H2,1H3
InChIKeyRJLMFGYLYZKURL-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.25
Rot. Bonds7

About N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine

N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106622609) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106622609
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine
SMILESCCN(Cc1ccc(OC(F)F)cc1)CC1CCCCN1
InChIInChI=1S/C16H24F2N2O/c1-2-20(12-14-5-3-4-10-19-14)11-13-6-8-15(9-7-13)21-16(17)18/h6-9,14,16,19H,2-5,10-12H2,1H3
InChIKeyRJLMFGYLYZKURL-UHFFFAOYSA-N
XLogP3.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603504
N-benzyl-N-(piperidin-2-ylmethyl)ethanamine;dihydrochloride
CID 56831759
4-[[ethyl(piperidin-2-ylmethyl)amino]methyl]-2-fluorophenol
CID 107692162
N-(pyridin-4-ylmethyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819441
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-ethyl-2-(4-fluorophenoxy)-N-(piperidin-2-ylmethyl)ethanamine
CID 106632404
(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpiperidine-2-carboxamide
CID 103808021
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
N-[(3,5-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106603533
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N,N-bis[(4-methylphenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86331312
N-(piperidin-2-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106622610

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine (CID 106622609) is N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine is CCN(Cc1ccc(OC(F)F)cc1)CC1CCCCN1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is RJLMFGYLYZKURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-2-20(12-14-5-3-4-10-19-14)11-13-6-8-15(9-7-13)21-16(17)18/h6-9,14,16,19H,2-5,10-12H2,1H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine?
N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 298.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106622609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).