2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine

C14H21FN2 — CID 106632818

IUPAC2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESFc1ccc(CCNCC2CCCCN2)cc1
InChIInChI=1S/C14H21FN2/c15-13-6-4-12(5-7-13)8-10-16-11-14-3-1-2-9-17-14/h4-7,14,16-17H,1-3,8-11H2
InChIKeyMMYDFDFIPNCSGL-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.10
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine

2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine (PubChem CID 106632818) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
PubChem CID106632818
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
SMILESFc1ccc(CCNCC2CCCCN2)cc1
InChIInChI=1S/C14H21FN2/c15-13-6-4-12(5-7-13)8-10-16-11-14-3-1-2-9-17-14/h4-7,14,16-17H,1-3,8-11H2
InChIKeyMMYDFDFIPNCSGL-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
2-(4-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 68725719
N-[(4-fluorophenyl)methyl]-1-[(2S)-pyrrolidin-2-yl]methanamine
CID 86329810
N-[(4-fluorophenyl)methyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 86329812
1-(azepan-2-yl)-N-[2-(4-fluorophenyl)ethyl]propan-2-amine
CID 79553439
N-[2-(4-ethylphenyl)ethyl]-2-piperidin-2-ylethanamine
CID 115211157
N-[2-(4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61371571
2-(2,5-dimethylphenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 115209373
2-(2-methoxyphenyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106259714
2-(4-fluorophenyl)-N-(2-piperidin-2-ylethyl)acetamide
CID 24704522
N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)ethanamine
CID 55066017

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The IUPAC name of 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine (CID 106632818) is 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine is Fc1ccc(CCNCC2CCCCN2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
The InChIKey is MMYDFDFIPNCSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-13-6-4-12(5-7-13)8-10-16-11-14-3-1-2-9-17-14/h4-7,14,16-17H,1-3,8-11H2.
What are the key properties of 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine?
2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine has a molecular weight of 236.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106632818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).