4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline

C16H24FN3 — CID 169149133

IUPAC4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
SMILESCNc1ccc(N2CCC(N3CCC(F)C3)CC2)cc1
InChIInChI=1S/C16H24FN3/c1-18-14-2-4-15(5-3-14)19-10-7-16(8-11-19)20-9-6-13(17)12-20/h2-5,13,16,18H,6-12H2,1H3
InChIKeyZHAAHFAWHWJMLY-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.74
Rot. Bonds3

About 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline

4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline (PubChem CID 169149133) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
PubChem CID169149133
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC Name4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline
SMILESCNc1ccc(N2CCC(N3CCC(F)C3)CC2)cc1
InChIInChI=1S/C16H24FN3/c1-18-14-2-4-15(5-3-14)19-10-7-16(8-11-19)20-9-6-13(17)12-20/h2-5,13,16,18H,6-12H2,1H3
InChIKeyZHAAHFAWHWJMLY-UHFFFAOYSA-N
XLogP2.74
TPSA18.51 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 ≤ 52.74
H-Bond Donors ≤ 51
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-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]aniline;methanethiol
CID 169149047
1-[4-(methylamino)phenyl]pyrrolidin-3-amine
CID 89019362
4-[4-(3-fluoropiperidin-1-yl)piperidin-1-yl]benzonitrile
CID 169148819
5-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-2-carboxamide
CID 169149196
N-[3-chloro-4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]phenyl]acetamide
CID 169148866
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
CID 126445475
4-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylbenzamide
CID 176748270
N-methyl-1-[1-(1-phenylpiperidin-4-yl)pyrrolidin-3-yl]methanamine
CID 104973734
1-[4-(methylamino)phenyl]piperidin-3-amine
CID 171622540
N-methyl-4-(4-phosphanyloxypiperazin-1-yl)aniline
CID 130459860
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
(3S)-1-(4-chlorophenyl)-3-fluoropyrrolidine
CID 166093392

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline?
The IUPAC name of 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline (CID 169149133) is 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline.
What is the SMILES notation for 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline?
The canonical SMILES for 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline is CNc1ccc(N2CCC(N3CCC(F)C3)CC2)cc1.
What is the InChIKey of 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline?
The InChIKey is ZHAAHFAWHWJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-18-14-2-4-15(5-3-14)19-10-7-16(8-11-19)20-9-6-13(17)12-20/h2-5,13,16,18H,6-12H2,1H3.
What are the key properties of 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline?
4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline has a molecular weight of 277.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoropyrrolidin-1-yl)piperidin-1-yl]-N-methylaniline is sourced from PubChem (CID 169149133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).