4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline

C16H24FN3 — CID 170748965

IUPAC4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
SMILESCCC1CN(C2CCN(c3ccc(N)cc3F)CC2)C1
InChIInChI=1S/C16H24FN3/c1-2-12-10-20(11-12)14-5-7-19(8-6-14)16-4-3-13(18)9-15(16)17/h3-4,9,12,14H,2,5-8,10-11,18H2,1H3
InChIKeySMAMNIQCFQNPGF-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.72
Rot. Bonds3

About 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline

4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline (PubChem CID 170748965) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
PubChem CID170748965
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
SMILESCCC1CN(C2CCN(c3ccc(N)cc3F)CC2)C1
InChIInChI=1S/C16H24FN3/c1-2-12-10-20(11-12)14-5-7-19(8-6-14)16-4-3-13(18)9-15(16)17/h3-4,9,12,14H,2,5-8,10-11,18H2,1H3
InChIKeySMAMNIQCFQNPGF-UHFFFAOYSA-N
XLogP2.72
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-(4-amino-2-fluorophenyl)piperidin-4-yl]methanol
CID 43133145
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
3-fluoro-4-(3-methoxypyrrolidin-1-yl)aniline
CID 103530518
4-(4-ethylpiperidin-1-yl)-3-(trifluoromethyl)aniline
CID 61421048
3-fluoro-4-[(3S)-3-methylpiperidin-1-yl]aniline
CID 28664912
1-(4-amino-2-fluorophenyl)-N-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166999975
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758
4-(4-ethylpiperidin-1-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 61421396
3-fluoro-4-(1-methylidene-1,4-thiazinan-4-yl)aniline
CID 59986953
4-[4-(azetidin-1-yl)piperidin-1-yl]-3-methylaniline
CID 142621533

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline?
The IUPAC name of 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline (CID 170748965) is 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline.
What is the SMILES notation for 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline?
The canonical SMILES for 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline is CCC1CN(C2CCN(c3ccc(N)cc3F)CC2)C1.
What is the InChIKey of 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline?
The InChIKey is SMAMNIQCFQNPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-2-12-10-20(11-12)14-5-7-19(8-6-14)16-4-3-13(18)9-15(16)17/h3-4,9,12,14H,2,5-8,10-11,18H2,1H3.
What are the key properties of 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline?
4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline has a molecular weight of 277.39 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline is sourced from PubChem (CID 170748965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).