1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine

C14H21F2N3 — CID 115506828

IUPAC1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
SMILESCCN1CCC(CNc2cc(F)cc(F)c2N)CC1
InChIInChI=1S/C14H21F2N3/c1-2-19-5-3-10(4-6-19)9-18-13-8-11(15)7-12(16)14(13)17/h7-8,10,18H,2-6,9,17H2,1H3
InChIKeyLAHCWXBWLQRDRC-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.69
Rot. Bonds4

About 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine

1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine (PubChem CID 115506828) has the molecular formula C14H21F2N3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
PubChem CID115506828
Molecular FormulaC14H21F2N3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
SMILESCCN1CCC(CNc2cc(F)cc(F)c2N)CC1
InChIInChI=1S/C14H21F2N3/c1-2-19-5-3-10(4-6-19)9-18-13-8-11(15)7-12(16)14(13)17/h7-8,10,18H,2-6,9,17H2,1H3
InChIKeyLAHCWXBWLQRDRC-UHFFFAOYSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.69
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

2-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 62375945
3,5-difluoro-1-N-[(1-methylpiperidin-3-yl)methyl]benzene-1,2-diamine
CID 113325246
1-N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 103590215
4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 114999006
N-[(1-ethylpyrrolidin-3-yl)methyl]-3,5-difluoro-2-nitroaniline
CID 115507744
2-[(2-amino-3,5-difluoroanilino)methyl]cyclopentan-1-ol
CID 115507102
2-amino-3-[(1-ethylpiperidin-4-yl)methylamino]benzamide
CID 115545622
3-[(1-ethylpiperidin-4-yl)methylamino]-5-fluorobenzonitrile
CID 102815985
4-amino-3-[(1-ethylpiperidin-4-yl)methylamino]-N-methylbenzamide
CID 63357311
1-N-(2,2-dicyclopropylethyl)-3,5-difluorobenzene-1,2-diamine
CID 113325330
4-chloro-2-[(1-ethylpiperidin-4-yl)methylamino]benzonitrile
CID 63082092
1-N-(3-cyclopentylpropyl)-3,5-difluorobenzene-1,2-diamine
CID 114136547

Frequently Asked Questions

What is the IUPAC name of 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
The IUPAC name of 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine (CID 115506828) is 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine is CCN1CCC(CNc2cc(F)cc(F)c2N)CC1.
What is the InChIKey of 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
The InChIKey is LAHCWXBWLQRDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N3/c1-2-19-5-3-10(4-6-19)9-18-13-8-11(15)7-12(16)14(13)17/h7-8,10,18H,2-6,9,17H2,1H3.
What are the key properties of 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine?
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine has a molecular weight of 269.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine is sourced from PubChem (CID 115506828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).