1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine

C15H22F2N2O — CID 63249108

IUPAC1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O/c1-18-10-13-4-2-3-9-19(13)11-12-5-7-14(8-6-12)20-15(16)17/h5-8,13,15,18H,2-4,9-11H2,1H3
InChIKeyQIQSMRCRZIHJSG-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 63249108) has the molecular formula C15H22F2N2O and a molecular weight of 284.35 g/mol. Its IUPAC name is 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID63249108
Molecular FormulaC15H22F2N2O
Molecular Weight284.35 g/mol
Exact Mass284.17
IUPAC Name1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C15H22F2N2O/c1-18-10-13-4-2-3-9-19(13)11-12-5-7-14(8-6-12)20-15(16)17/h5-8,13,15,18H,2-4,9-11H2,1H3
InChIKeyQIQSMRCRZIHJSG-UHFFFAOYSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
4-[[2-(methylaminomethyl)piperidin-1-yl]methyl]benzamide
CID 63249745
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
N-methyl-1-[1-[(3,4,5-trifluorophenyl)methyl]piperidin-2-yl]methanamine
CID 55168734
1-[1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928550
3-[4-(difluoromethoxy)phenyl]-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 119651072
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55138843
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
N-methyl-1-[1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-2-yl]methanamine
CID 63250287
[4-(difluoromethoxy)phenyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484657
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine (CID 63249108) is 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is QIQSMRCRZIHJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O/c1-18-10-13-4-2-3-9-19(13)11-12-5-7-14(8-6-12)20-15(16)17/h5-8,13,15,18H,2-4,9-11H2,1H3.
What are the key properties of 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 284.35 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 63249108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).