3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline

C16H24FN3 — CID 79707391

IUPAC3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline
SMILESFc1cc(NCC2CCNCC2)ccc1N1CCCC1
InChIInChI=1S/C16H24FN3/c17-15-11-14(19-12-13-5-7-18-8-6-13)3-4-16(15)20-9-1-2-10-20/h3-4,11,13,18-19H,1-2,5-10,12H2
InChIKeyCJXGQOYVMLOINU-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.84
Rot. Bonds4

About 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline

3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline (PubChem CID 79707391) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline
PubChem CID79707391
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline
SMILESFc1cc(NCC2CCNCC2)ccc1N1CCCC1
InChIInChI=1S/C16H24FN3/c17-15-11-14(19-12-13-5-7-18-8-6-13)3-4-16(15)20-9-1-2-10-20/h3-4,11,13,18-19H,1-2,5-10,12H2
InChIKeyCJXGQOYVMLOINU-UHFFFAOYSA-N
XLogP2.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-piperidin-1-yl-N-(piperidin-4-ylmethyl)aniline
CID 79708174
N-ethyl-3-fluoro-4-piperazin-1-ylaniline
CID 70934986
4-(difluoromethoxy)-3-fluoro-N-(piperidin-4-ylmethyl)aniline
CID 79708271
N-(cyclopentylmethyl)-3,4-difluoroaniline
CID 61344637
N-benzyl-3-fluoro-4-piperidin-1-ylaniline
CID 70256130
2-methyl-5-(piperidin-4-ylmethylamino)isoindole-1,3-dione
CID 79699723
N-[(5-bromofuran-2-yl)methyl]-3-fluoro-4-pyrrolidin-1-ylaniline
CID 60935863
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-4-morpholin-4-ylaniline;1-methylpiperidine-4-carbaldehyde
CID 160755864
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443142
3-fluoro-4-morpholin-4-yl-N-(oxiran-2-ylmethyl)aniline
CID 123224004
4-(4-methylpiperazin-1-yl)-N-(piperidin-4-ylmethyl)aniline
CID 112719835

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline?
The IUPAC name of 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline (CID 79707391) is 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline is Fc1cc(NCC2CCNCC2)ccc1N1CCCC1.
What is the InChIKey of 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline?
The InChIKey is CJXGQOYVMLOINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c17-15-11-14(19-12-13-5-7-18-8-6-13)3-4-16(15)20-9-1-2-10-20/h3-4,11,13,18-19H,1-2,5-10,12H2.
What are the key properties of 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline?
3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline has a molecular weight of 277.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 79707391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).