2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine

C14H22FN3 — CID 62375945

IUPAC2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
SMILESCCN1CCC(CNc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H22FN3/c1-2-18-7-5-11(6-8-18)10-17-14-9-12(15)3-4-13(14)16/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKeyCBWWOHDUHGHELH-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.55
Rot. Bonds4

About 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine

2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine (PubChem CID 62375945) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
PubChem CID62375945
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
SMILESCCN1CCC(CNc2cc(F)ccc2N)CC1
InChIInChI=1S/C14H22FN3/c1-2-18-7-5-11(6-8-18)10-17-14-9-12(15)3-4-13(14)16/h3-4,9,11,17H,2,5-8,10,16H2,1H3
InChIKeyCBWWOHDUHGHELH-UHFFFAOYSA-N
XLogP2.55
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
1-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590215
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 114999006
N-[(2-amino-5-fluorophenyl)methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 55004343
2-(4-ethylpiperazin-1-yl)-4-fluoroaniline
CID 62377784
1-(1-ethylpiperidin-4-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968095
3-N-[(1-ethylpiperidin-4-yl)methyl]-2-nitrobenzene-1,3-diamine
CID 80812500
1-N-(cyclohexylmethyl)-4-fluorobenzene-1,2-diamine
CID 43371532
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile
CID 102815985
2-N-[(1-ethylpiperidin-4-yl)methyl]-5-methylpyridine-2,4-diamine
CID 83265626

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine (CID 62375945) is 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine is CCN1CCC(CNc2cc(F)ccc2N)CC1.
What is the InChIKey of 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine?
The InChIKey is CBWWOHDUHGHELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-18-7-5-11(6-8-18)10-17-14-9-12(15)3-4-13(14)16/h3-4,9,11,17H,2,5-8,10,16H2,1H3.
What are the key properties of 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine?
2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine has a molecular weight of 251.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 62375945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).