[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine

C15H23FN2 — CID 107878208

IUPAC[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCCC1CCN(Cc2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C15H23FN2/c1-2-12-5-7-18(8-6-12)11-13-3-4-15(16)14(9-13)10-17/h3-4,9,12H,2,5-8,10-11,17H2,1H3
InChIKeySMBCQZKUZCSTPK-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.91
Rot. Bonds4

About [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine

[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine (PubChem CID 107878208) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
PubChem CID107878208
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
SMILESCCC1CCN(Cc2ccc(F)c(CN)c2)CC1
InChIInChI=1S/C15H23FN2/c1-2-12-5-7-18(8-6-12)11-13-3-4-15(16)14(9-13)10-17/h3-4,9,12H,2,5-8,10-11,17H2,1H3
InChIKeySMBCQZKUZCSTPK-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
1-[3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorophenyl]-N-methylmethanamine
CID 107453627
[2-fluoro-5-(thiomorpholin-4-ylmethyl)phenyl]methanamine
CID 107878107
[2-fluoro-5-[(3-phenylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 107878368
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
[2-fluoro-5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]methanamine
CID 107878528
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-fluorophenyl]methanamine
CID 107878026
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
4-ethyl-1-[(4-methylphenyl)methyl]piperidine
CID 144879966
1-[(3-bromo-4-fluorophenyl)methyl]-4-propylpiperidine
CID 63458840
3-[(4-ethylpiperidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107458588

Frequently Asked Questions

What is the IUPAC name of [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The IUPAC name of [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine (CID 107878208) is [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The canonical SMILES for [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine is CCC1CCN(Cc2ccc(F)c(CN)c2)CC1.
What is the InChIKey of [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
The InChIKey is SMBCQZKUZCSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-2-12-5-7-18(8-6-12)11-13-3-4-15(16)14(9-13)10-17/h3-4,9,12H,2,5-8,10-11,17H2,1H3.
What are the key properties of [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine?
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine has a molecular weight of 250.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine is sourced from PubChem (CID 107878208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).