[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine

C16H25FN2 — CID 107113388

IUPAC[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCCC1(C)CCN(Cc2cccc(CN)c2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(2)7-9-19(10-8-16)12-14-6-4-5-13(11-18)15(14)17/h4-6H,3,7-12,18H2,1-2H3
InChIKeyKFLIDSHFXZDLIA-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.30
Rot. Bonds4

About [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine

[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107113388) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107113388
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCCC1(C)CCN(Cc2cccc(CN)c2F)CC1
InChIInChI=1S/C16H25FN2/c1-3-16(2)7-9-19(10-8-16)12-14-6-4-5-13(11-18)15(14)17/h4-6H,3,7-12,18H2,1-2H3
InChIKeyKFLIDSHFXZDLIA-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3-azaspiro[5.5]undecan-3-ylmethyl)-2-fluorophenyl]methanamine
CID 107113370
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
CID 63156387
3-[(4,4-diethylpiperidin-1-yl)methyl]-2-fluoroaniline
CID 107347423
[2-fluoro-3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
CID 107113059
[2-fluoro-3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanamine
CID 107113381
[3-[(4-tert-butylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107113344
[2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-6-nitrophenyl]hydrazine
CID 107353045
[3-[(2,6-dimethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113021
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
[4-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888263
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 76994265
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]methanamine
CID 63160099

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine (CID 107113388) is [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine is CCC1(C)CCN(Cc2cccc(CN)c2F)CC1.
What is the InChIKey of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is KFLIDSHFXZDLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-3-16(2)7-9-19(10-8-16)12-14-6-4-5-13(11-18)15(14)17/h4-6H,3,7-12,18H2,1-2H3.
What are the key properties of [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
[3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107113388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).