4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline

C14H22FN3 — CID 54985871

IUPAC4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
SMILESCN(C)CC1CCN(c2ccc(N)cc2F)CC1
InChIInChI=1S/C14H22FN3/c1-17(2)10-11-5-7-18(8-6-11)14-4-3-12(16)9-13(14)15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyOWONZYGMGBTCHG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.19
Rot. Bonds3

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

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline (PubChem CID 54985871) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline.

Molecular Properties

Compound Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
PubChem CID54985871
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
SMILESCN(C)CC1CCN(c2ccc(N)cc2F)CC1
InChIInChI=1S/C14H22FN3/c1-17(2)10-11-5-7-18(8-6-11)14-4-3-12(16)9-13(14)15/h3-4,9,11H,5-8,10,16H2,1-2H3
InChIKeyOWONZYGMGBTCHG-UHFFFAOYSA-N
XLogP2.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.19
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
2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluoro-4-methylaniline
CID 103590157
4-(4-benzylpiperidin-1-yl)-3-fluoroaniline
CID 43346322
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-fluoroaniline
CID 62885742
2-[5-chloro-2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]ethanamine
CID 114861174
4-[4-(3-ethylazetidin-1-yl)piperidin-1-yl]-3-fluoroaniline
CID 170748965
5-[[1-(4-amino-2-fluorophenyl)piperidin-4-yl]-methylamino]pentan-1-ol
CID 166999948
2-[1-(4-amino-2-fluorophenyl)pyrrolidin-3-yl]ethanol
CID 114796888
3-fluoro-4-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]aniline
CID 118164758
1-(4-amino-2-fluorophenyl)-N-methyl-N-[2-(4-propylpiperazin-1-yl)ethyl]piperidin-4-amine
CID 166999975
3-amino-4-[4-[(dimethylamino)methyl]piperidin-1-yl]benzonitrile
CID 54985970
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]-5-fluorophenyl]propan-2-amine
CID 63815975

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline?
The IUPAC name of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline (CID 54985871) is 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline.
What is the SMILES notation for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline?
The canonical SMILES for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline is CN(C)CC1CCN(c2ccc(N)cc2F)CC1.
What is the InChIKey of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline?
The InChIKey is OWONZYGMGBTCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-17(2)10-11-5-7-18(8-6-11)14-4-3-12(16)9-13(14)15/h3-4,9,11H,5-8,10,16H2,1-2H3.
What are the key properties of 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline?
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline has a molecular weight of 251.35 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline is sourced from PubChem (CID 54985871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).