1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine

C14H21FN2O — CID 82298212

IUPAC1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(F)cc1CCN1CCC(N)CC1
InChIInChI=1S/C14H21FN2O/c1-18-14-3-2-12(15)10-11(14)4-7-17-8-5-13(16)6-9-17/h2-3,10,13H,4-9,16H2,1H3
InChIKeyDAHGQRFLHHEQIE-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine

1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine (PubChem CID 82298212) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
PubChem CID82298212
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
SMILESCOc1ccc(F)cc1CCN1CCC(N)CC1
InChIInChI=1S/C14H21FN2O/c1-18-14-3-2-12(15)10-11(14)4-7-17-8-5-13(16)6-9-17/h2-3,10,13H,4-9,16H2,1H3
InChIKeyDAHGQRFLHHEQIE-UHFFFAOYSA-N
XLogP1.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethyl-4-methoxyphenyl)ethyl]piperidin-4-amine
CID 95468648
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
4-[[(5-fluoro-2-methoxyphenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213425
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 81494890
4-N-ethyl-4-N-[(5-fluoro-2-methoxyphenyl)methyl]cyclohexane-1,4-diamine
CID 79115454
1-[2-(2-methoxyphenyl)ethyl]piperidin-3-amine
CID 82159159
3-(5-fluoro-2-methoxyphenyl)propan-1-amine
CID 55267312
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
1-[2-(2,5-difluorophenyl)ethyl]azetidin-3-amine
CID 171785009
1-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]piperidine-4-carboxylic acid
CID 95404988

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine?
The IUPAC name of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine (CID 82298212) is 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine is COc1ccc(F)cc1CCN1CCC(N)CC1.
What is the InChIKey of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine?
The InChIKey is DAHGQRFLHHEQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-18-14-3-2-12(15)10-11(14)4-7-17-8-5-13(16)6-9-17/h2-3,10,13H,4-9,16H2,1H3.
What are the key properties of 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine?
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine has a molecular weight of 252.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine is sourced from PubChem (CID 82298212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).