N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine

C12H25FN2O — CID 81107231

IUPACN-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(CCCF)CC1
InChIInChI=1S/C12H25FN2O/c1-16-10-6-14-11-12-3-8-15(9-4-12)7-2-5-13/h12,14H,2-11H2,1H3
InChIKeyJWIXSEPUDQAXOE-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.29
Rot. Bonds8

About N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine

N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 81107231) has the molecular formula C12H25FN2O and a molecular weight of 232.34 g/mol. Its IUPAC name is N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID81107231
Molecular FormulaC12H25FN2O
Molecular Weight232.34 g/mol
Exact Mass232.20
IUPAC NameN-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(CCCF)CC1
InChIInChI=1S/C12H25FN2O/c1-16-10-6-14-11-12-3-8-15(9-4-12)7-2-5-13/h12,14H,2-11H2,1H3
InChIKeyJWIXSEPUDQAXOE-UHFFFAOYSA-N
XLogP1.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-Methoxyethyl)piperidin-4-yl]methanamine
CID 28063523
4-(Piperidin-4-ylmethyl)morpholine
CID 12802906
2-(4-((Methylamino)methyl)piperidin-1-yl)ethan-1-ol
CID 28063525
rel-(2R,6S)-2,6-Dimethyl-4-(4-piperidinylmethyl)morpholine
CID 29888966
(2R,6S)-2,6-Dimethyl-4-(2-(piperidin-4-yl)ethyl)morpholine
CID 33787613
2-[2-(2-ethoxyethoxy)ethoxy]-N-(piperidin-4-ylmethyl)ethanamine
CID 44592951
2-[4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]piperidin-1-yl]ethanol
CID 53587802
2-[4-[(2-Ethoxyethylamino)methyl]piperidin-1-yl]ethanol
CID 72141115
4-(2-Piperidin-4-ylethyl)morpholine
CID 270741
(2-Methoxyethyl)(methyl)[3-(piperidin-4-yl)propyl]amine
CID 62212503
1-[1-(2-Methoxyethyl)piperidin-3-YL]-N-methylmethanamine
CID 43811472
4-Fluoro-1-(2-methoxyethyl)-4-methylpiperidine
CID 59343303

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine (CID 81107231) is N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine is COCCNCC1CCN(CCCF)CC1.
What is the InChIKey of N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is JWIXSEPUDQAXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FN2O/c1-16-10-6-14-11-12-3-8-15(9-4-12)7-2-5-13/h12,14H,2-11H2,1H3.
What are the key properties of N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 232.34 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluoropropyl)piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 81107231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).