[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine

C16H25FN2 — CID 114592305

IUPAC[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC1CC(C)C(C)N(Cc2cc(F)cc(CN)c2)C1
InChIInChI=1S/C16H25FN2/c1-11-4-12(2)13(3)19(9-11)10-15-5-14(8-18)6-16(17)7-15/h5-7,11-13H,4,8-10,18H2,1-3H3
InChIKeyHSKMFSVYMGMYED-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.15
Rot. Bonds3

About [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine

[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 114592305) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID114592305
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCC1CC(C)C(C)N(Cc2cc(F)cc(CN)c2)C1
InChIInChI=1S/C16H25FN2/c1-11-4-12(2)13(3)19(9-11)10-15-5-14(8-18)6-16(17)7-15/h5-7,11-13H,4,8-10,18H2,1-3H3
InChIKeyHSKMFSVYMGMYED-UHFFFAOYSA-N
XLogP3.15
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]boronic acid
CID 114596163
3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114597359
[2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine
CID 114592331
2-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzenecarbothioamide
CID 107879532
4-fluoro-2-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenol
CID 103275846
[3-fluoro-5-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]methanamine
CID 102882858
2-methoxy-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]aniline
CID 114592263
1-(3,5-difluorophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596868
3-[(2,3,5-trimethylpiperidin-1-yl)methyl]benzoic acid
CID 114593971
3-[2-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 114596190
5-[(3,5-difluorophenyl)methyl]-4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 105404951
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine (CID 114592305) is [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine is CC1CC(C)C(C)N(Cc2cc(F)cc(CN)c2)C1.
What is the InChIKey of [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is HSKMFSVYMGMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11-4-12(2)13(3)19(9-11)10-15-5-14(8-18)6-16(17)7-15/h5-7,11-13H,4,8-10,18H2,1-3H3.
What are the key properties of [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine?
[3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-[(2,3,5-trimethylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114592305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).