1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine

C14H21FN2O — CID 83134821

IUPAC1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine
SMILESCc1cc(OCCF)ccc1N1CCCC(N)C1
InChIInChI=1S/C14H21FN2O/c1-11-9-13(18-8-6-15)4-5-14(11)17-7-2-3-12(16)10-17/h4-5,9,12H,2-3,6-8,10,16H2,1H3
InChIKeySJUYSVKPOMFDMS-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.27
Rot. Bonds4

About 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine

1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine (PubChem CID 83134821) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine
PubChem CID83134821
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine
SMILESCc1cc(OCCF)ccc1N1CCCC(N)C1
InChIInChI=1S/C14H21FN2O/c1-11-9-13(18-8-6-15)4-5-14(11)17-7-2-3-12(16)10-17/h4-5,9,12H,2-3,6-8,10,16H2,1H3
InChIKeySJUYSVKPOMFDMS-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine?
The IUPAC name of 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine (CID 83134821) is 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine.
What is the SMILES notation for 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine?
The canonical SMILES for 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine is Cc1cc(OCCF)ccc1N1CCCC(N)C1.
What is the InChIKey of 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine?
The InChIKey is SJUYSVKPOMFDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-9-13(18-8-6-15)4-5-14(11)17-7-2-3-12(16)10-17/h4-5,9,12H,2-3,6-8,10,16H2,1H3.
What are the key properties of 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine?
1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine has a molecular weight of 252.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluoroethoxy)-2-methylphenyl]piperidin-3-amine is sourced from PubChem (CID 83134821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).