4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline

C14H21FN2 — CID 115041678

IUPAC4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
SMILESCC(F)c1ccc(NCC2CCCCN2)cc1
InChIInChI=1S/C14H21FN2/c1-11(15)12-5-7-13(8-6-12)17-10-14-4-2-3-9-16-14/h5-8,11,14,16-17H,2-4,9-10H2,1H3
InChIKeyPOWURGDXBAPJCD-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.27
Rot. Bonds4

About 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline

4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline (PubChem CID 115041678) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
PubChem CID115041678
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline
SMILESCC(F)c1ccc(NCC2CCCCN2)cc1
InChIInChI=1S/C14H21FN2/c1-11(15)12-5-7-13(8-6-12)17-10-14-4-2-3-9-16-14/h5-8,11,14,16-17H,2-4,9-10H2,1H3
InChIKeyPOWURGDXBAPJCD-UHFFFAOYSA-N
XLogP3.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluoropropan-2-yl)-N-(piperidin-2-ylmethyl)aniline
CID 115054169
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 115053481
4-cyclopentyloxy-N-(piperidin-2-ylmethyl)aniline
CID 106633330
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
4-cyclopentylsulfanyl-N-(piperidin-2-ylmethyl)aniline
CID 106633430
4-ethylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208091
4-(2-methoxyethoxy)-N-(piperidin-2-ylmethyl)aniline
CID 106633476
N-(piperidin-2-ylmethyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 106633350
2-[[5-(difluoromethyl)-2-methylphenyl]methyl]piperidine
CID 117351246
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
2-[[5-(1-fluoroethyl)-2-methoxyphenyl]methyl]pyrrolidine
CID 84700259
N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine
CID 59332807

Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline (CID 115041678) is 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline is CC(F)c1ccc(NCC2CCCCN2)cc1.
What is the InChIKey of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline?
The InChIKey is POWURGDXBAPJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(15)12-5-7-13(8-6-12)17-10-14-4-2-3-9-16-14/h5-8,11,14,16-17H,2-4,9-10H2,1H3.
What are the key properties of 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline?
4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline has a molecular weight of 236.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-N-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 115041678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).