N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine

C15H23FN2O — CID 102876339

IUPACN-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
SMILESCOc1ccc(CNCCN2CCCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-19-14-6-5-13(15(16)11-14)12-17-7-10-18-8-3-2-4-9-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeySCTCWVIGRWOWPQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds6

About N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine

N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine (PubChem CID 102876339) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
PubChem CID102876339
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine
SMILESCOc1ccc(CNCCN2CCCCC2)c(F)c1
InChIInChI=1S/C15H23FN2O/c1-19-14-6-5-13(15(16)11-14)12-17-7-10-18-8-3-2-4-9-18/h5-6,11,17H,2-4,7-10,12H2,1H3
InChIKeySCTCWVIGRWOWPQ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 102876221
N-[(2-fluoro-4-methoxyphenyl)methyl]butan-1-amine
CID 68574125
4-methoxy-2-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 28658335
2-cyclopentyloxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876414
3-[4-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-amine
CID 102876137
2-fluoro-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 113219291
1-[(2-fluoro-5-methoxyphenyl)methyl]piperidine
CID 22372485
N-[(2-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-1-ylethanamine
CID 60697863
1-[(2-fluoro-5-methoxyphenyl)methyl]-3-hydroxy-3-[(2-piperidin-1-ylethylamino)methyl]piperidin-2-one
CID 56708991
2,2-dicyclopropyl-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876471
N-[(2-fluoro-4-methoxyphenyl)methyl]-7-methyloctan-1-amine
CID 107814945
2-butoxy-N-[(2-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 102876306

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine?
The IUPAC name of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine (CID 102876339) is N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine?
The canonical SMILES for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine is COc1ccc(CNCCN2CCCCC2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine?
The InChIKey is SCTCWVIGRWOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-19-14-6-5-13(15(16)11-14)12-17-7-10-18-8-3-2-4-9-18/h5-6,11,17H,2-4,7-10,12H2,1H3.
What are the key properties of N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine?
N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methoxyphenyl)methyl]-2-piperidin-1-ylethanamine is sourced from PubChem (CID 102876339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).