4-[(4-fluoropiperidin-1-yl)methyl]aniline

C12H17FN2 — CID 68980822

IUPAC4-[(4-fluoropiperidin-1-yl)methyl]aniline
SMILESNc1ccc(CN2CCC(F)CC2)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-7-15(8-6-11)9-10-1-3-12(14)4-2-10/h1-4,11H,5-9,14H2
InChIKeyORFAPISUKHAVFC-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.20
Rot. Bonds2

About 4-[(4-fluoropiperidin-1-yl)methyl]aniline

4-[(4-fluoropiperidin-1-yl)methyl]aniline (PubChem CID 68980822) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-[(4-fluoropiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(4-fluoropiperidin-1-yl)methyl]aniline
PubChem CID68980822
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name4-[(4-fluoropiperidin-1-yl)methyl]aniline
SMILESNc1ccc(CN2CCC(F)CC2)cc1
InChIInChI=1S/C12H17FN2/c13-11-5-7-15(8-6-11)9-10-1-3-12(14)4-2-10/h1-4,11H,5-9,14H2
InChIKeyORFAPISUKHAVFC-UHFFFAOYSA-N
XLogP2.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[(4-aminophenyl)methyl]piperidin-4-yl]methanol;hydrochloride
CID 170916888
1-[(4-aminophenyl)methyl]piperidin-4-ol;bicyclo[2.2.0]hexa-1,3,5-triene
CID 174445442
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
1-[(4-aminophenyl)methyl]piperidine-4-carboxamide
CID 16788434
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]aniline
CID 176705345
4-[4-[(4-cyclopropylpiperazin-1-yl)methyl]phenyl]aniline
CID 155109173
1-[(4-aminophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 69105973
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
CID 159454325
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
4-[(1-oxo-1,4-thiazinan-4-yl)methyl]aniline
CID 22569471
4-methyl-1-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]piperidine
CID 53443850

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-[(4-fluoropiperidin-1-yl)methyl]aniline (CID 68980822) is 4-[(4-fluoropiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(4-fluoropiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-[(4-fluoropiperidin-1-yl)methyl]aniline is Nc1ccc(CN2CCC(F)CC2)cc1.
What is the InChIKey of 4-[(4-fluoropiperidin-1-yl)methyl]aniline?
The InChIKey is ORFAPISUKHAVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-5-7-15(8-6-11)9-10-1-3-12(14)4-2-10/h1-4,11H,5-9,14H2.
What are the key properties of 4-[(4-fluoropiperidin-1-yl)methyl]aniline?
4-[(4-fluoropiperidin-1-yl)methyl]aniline has a molecular weight of 208.28 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoropiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 68980822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).