[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine

C16H25FN2 — CID 107878369

IUPAC[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CCN(Cc2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C16H25FN2/c1-2-3-13-6-8-19(9-7-13)12-14-4-5-16(17)15(10-14)11-18/h4-5,10,13H,2-3,6-9,11-12,18H2,1H3
InChIKeyXUATVUASZKANDI-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.30
Rot. Bonds5

About [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine

[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine (PubChem CID 107878369) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
PubChem CID107878369
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
SMILESCCCC1CCN(Cc2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C16H25FN2/c1-2-3-13-6-8-19(9-7-13)12-14-4-5-16(17)15(10-14)11-18/h4-5,10,13H,2-3,6-9,11-12,18H2,1H3
InChIKeyXUATVUASZKANDI-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
2-fluoro-4-[(4-propylpiperidin-1-yl)methyl]phenol
CID 107694032
[2-methoxy-5-[(4-propylazepan-1-yl)methyl]phenyl]methanamine
CID 65338957
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
1-[(3,4-dichlorophenyl)methyl]-4-propylpiperidine
CID 144996291
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346383
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine (CID 107878369) is [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine is CCCC1CCN(Cc2ccc(F)c(CN)c2)CC1.
What is the InChIKey of [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine?
The InChIKey is XUATVUASZKANDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-2-3-13-6-8-19(9-7-13)12-14-4-5-16(17)15(10-14)11-18/h4-5,10,13H,2-3,6-9,11-12,18H2,1H3.
What are the key properties of [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine?
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine has a molecular weight of 264.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 107878369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).