1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine

C15H23FN2O — CID 61169019

IUPAC1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-3-18-8-4-5-13(11-18)17-10-12-6-7-15(19-2)14(16)9-12/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3
InChIKeyHQERZUOCRSWXTQ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.41
Rot. Bonds5

About 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine

1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine (PubChem CID 61169019) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
PubChem CID61169019
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
SMILESCCN1CCCC(NCc2ccc(OC)c(F)c2)C1
InChIInChI=1S/C15H23FN2O/c1-3-18-8-4-5-13(11-18)17-10-12-6-7-15(19-2)14(16)9-12/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3
InChIKeyHQERZUOCRSWXTQ-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(3R)-1-(cyclohexylmethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine
CID 51635194
N-[(5-chloro-2-methoxyphenyl)methyl]-1-ethylpiperidin-3-amine
CID 61169801
3-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64741608
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]acetamide
CID 171334193
N-[(3-cyclopropylphenyl)methyl]-1-ethylpiperidin-3-amine
CID 79978789
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-ethylpiperidin-3-amine
CID 61171948
(3S)-N-[(4-ethoxy-3-fluorophenyl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine
CID 124888646
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 61170750
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
N-[(2,3-difluorophenyl)methyl]-1-ethylpiperidin-3-amine
CID 63667561

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
The IUPAC name of 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine (CID 61169019) is 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
The canonical SMILES for 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine is CCN1CCCC(NCc2ccc(OC)c(F)c2)C1.
What is the InChIKey of 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
The InChIKey is HQERZUOCRSWXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-18-8-4-5-13(11-18)17-10-12-6-7-15(19-2)14(16)9-12/h6-7,9,13,17H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine?
1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine has a molecular weight of 266.36 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-amine is sourced from PubChem (CID 61169019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).