[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine

C16H24F2N2O — CID 103440458

IUPAC[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(C(C)c2cccc(OC(F)F)c2)C(CN)C1
InChIInChI=1S/C16H24F2N2O/c1-11-6-7-20(14(8-11)10-19)12(2)13-4-3-5-15(9-13)21-16(17)18/h3-5,9,11-12,14,16H,6-8,10,19H2,1-2H3
InChIKeyAKIIWSRKCFCUEI-UHFFFAOYSA-N
MW298.38 g/mol
LogP3.41
Rot. Bonds5

About [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine

[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103440458) has the molecular formula C16H24F2N2O and a molecular weight of 298.38 g/mol. Its IUPAC name is [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103440458
Molecular FormulaC16H24F2N2O
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(C(C)c2cccc(OC(F)F)c2)C(CN)C1
InChIInChI=1S/C16H24F2N2O/c1-11-6-7-20(14(8-11)10-19)12(2)13-4-3-5-15(9-13)21-16(17)18/h3-5,9,11-12,14,16H,6-8,10,19H2,1-2H3
InChIKeyAKIIWSRKCFCUEI-UHFFFAOYSA-N
XLogP3.41
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[1-[3-(difluoromethoxy)phenyl]ethyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115316160
[4-methoxy-1-[1-(3-methoxyphenyl)ethyl]piperidin-2-yl]methanamine
CID 115963202
[1-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylpiperidin-2-yl]methanamine
CID 103440659
[4-methyl-1-(1-pyridin-4-ylethyl)piperidin-2-yl]methanamine
CID 103440649
[1-[1-(3-fluorophenyl)propyl]-4-methylpiperidin-2-yl]methanamine
CID 103440552
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
1-[(1R)-1-[3-(difluoromethoxy)phenyl]ethyl]piperazine
CID 93464479
[4-methyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103440626
3-[1-[2-(aminomethyl)-4-methoxypiperidin-1-yl]ethyl]phenol
CID 112621904
[[3-(difluoromethoxy)phenyl]-(3-methylcyclohexyl)methyl]hydrazine
CID 105313509
[4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine
CID 107104835
1-[(S)-cyclopropyl-[3-(difluoromethoxy)phenyl]methyl]piperazine
CID 171278221

Frequently Asked Questions

What is the IUPAC name of [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine (CID 103440458) is [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(C(C)c2cccc(OC(F)F)c2)C(CN)C1.
What is the InChIKey of [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is AKIIWSRKCFCUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O/c1-11-6-7-20(14(8-11)10-19)12(2)13-4-3-5-15(9-13)21-16(17)18/h3-5,9,11-12,14,16H,6-8,10,19H2,1-2H3.
What are the key properties of [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine?
[1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 298.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[3-(difluoromethoxy)phenyl]ethyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103440458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).