1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

C15H22F2N2 — CID 103991997

IUPAC1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2c(F)cccc2F)CC1
InChIInChI=1S/C15H22F2N2/c1-15(6-8-19(2)9-7-15)11-18-10-12-13(16)4-3-5-14(12)17/h3-5,18H,6-11H2,1-2H3
InChIKeyVDZPLQRVSOQTHS-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.79
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine

1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (PubChem CID 103991997) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
PubChem CID103991997
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
SMILESCN1CCC(C)(CNCc2c(F)cccc2F)CC1
InChIInChI=1S/C15H22F2N2/c1-15(6-8-19(2)9-7-15)11-18-10-12-13(16)4-3-5-14(12)17/h3-5,18H,6-11H2,1-2H3
InChIKeyVDZPLQRVSOQTHS-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluorophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine;hydrochloride
CID 115680411
1-(2,6-difluorophenyl)-2-[(1,4-dimethylpiperidin-4-yl)methylamino]ethanol
CID 107163546
1-(6-bromo-2-pyridinyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163192
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-thiophen-2-ylmethanamine
CID 103992175
1-(2-chloro-6-nitrophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 107163551
1-(2,3-difluorophenyl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 63820897
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 107163493
[1-[[(2,6-difluorophenyl)methylamino]methyl]cyclopropyl]methanol
CID 79478439
4-[(2,6-difluorophenyl)methyl]-1-methylpiperidin-4-ol
CID 114930983
1-(3,5-dichlorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine
CID 103991987
1-(2,3-difluorophenyl)-N-[(4-methyloxan-4-yl)methyl]methanamine
CID 103743661

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine (CID 103991997) is 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is CN1CCC(C)(CNCc2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
The InChIKey is VDZPLQRVSOQTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-15(6-8-19(2)9-7-15)11-18-10-12-13(16)4-3-5-14(12)17/h3-5,18H,6-11H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine?
1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine has a molecular weight of 268.35 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 103991997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).