2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine

C14H20F2N2 — CID 80555516

IUPAC2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCC2CCCNC2)c1
InChIInChI=1S/C14H20F2N2/c15-13-6-11(7-14(16)8-13)3-5-18-10-12-2-1-4-17-9-12/h6-8,12,17-18H,1-5,9-10H2
InChIKeyDJINYAUTHJKEAS-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.10
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine

2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 80555516) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID80555516
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine
SMILESFc1cc(F)cc(CCNCC2CCCNC2)c1
InChIInChI=1S/C14H20F2N2/c15-13-6-11(7-14(16)8-13)3-5-18-10-12-2-1-4-17-9-12/h6-8,12,17-18H,1-5,9-10H2
InChIKeyDJINYAUTHJKEAS-UHFFFAOYSA-N
XLogP2.10
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
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

2-(3-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 80555044
1-(3,5-difluorophenyl)-3-piperidin-3-ylpropan-2-one
CID 105411916
2-(3,4-dimethoxyphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 79016620
3-[(3,5-difluorophenyl)methyl]azepane
CID 105411836
N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine
CID 61342806
2-naphthalen-1-yl-N-(piperidin-3-ylmethyl)ethanamine
CID 115209720
2-(5-bromo-2-methylphenyl)-N-(piperidin-3-ylmethyl)ethanamine
CID 115209713
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
3-(piperidin-3-ylmethylamino)propan-1-ol
CID 80553574
4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
2-(3-fluoro-4-methoxyphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208972

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine (CID 80555516) is 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine is Fc1cc(F)cc(CCNCC2CCCNC2)c1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is DJINYAUTHJKEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c15-13-6-11(7-14(16)8-13)3-5-18-10-12-2-1-4-17-9-12/h6-8,12,17-18H,1-5,9-10H2.
What are the key properties of 2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine?
2-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine has a molecular weight of 254.32 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-(3,5-difluorophenyl)-N-(piperidin-3-ylmethyl)ethanamine is sourced from PubChem (CID 80555516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).