4-fluoro-N-(piperidin-3-ylmethyl)aniline

C12H17FN2 — CID 79020016

IUPAC4-fluoro-N-(piperidin-3-ylmethyl)aniline
SMILESFc1ccc(NCC2CCCNC2)cc1
InChIInChI=1S/C12H17FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2
InChIKeyGQGNWFFVDVHEHF-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.24
Rot. Bonds3

About 4-fluoro-N-(piperidin-3-ylmethyl)aniline

4-fluoro-N-(piperidin-3-ylmethyl)aniline (PubChem CID 79020016) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 4-fluoro-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(piperidin-3-ylmethyl)aniline
PubChem CID79020016
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name4-fluoro-N-(piperidin-3-ylmethyl)aniline
SMILESFc1ccc(NCC2CCCNC2)cc1
InChIInChI=1S/C12H17FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2
InChIKeyGQGNWFFVDVHEHF-UHFFFAOYSA-N
XLogP2.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020017
N-(azetidin-3-ylmethyl)-4-fluoroaniline
CID 84657410
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-(piperidin-3-ylmethyl)-6-pyrazol-1-ylpyridin-3-amine
CID 80554281
4-methylsulfanyl-N-(2-piperidin-3-ylethyl)aniline
CID 115211278
2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
CID 82818461
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
3-chloro-4-(difluoromethoxy)-N-(piperidin-3-ylmethyl)aniline
CID 80553653
2-(4-fluorophenyl)-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-4-amine
CID 56768393

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-(piperidin-3-ylmethyl)aniline (CID 79020016) is 4-fluoro-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-(piperidin-3-ylmethyl)aniline is Fc1ccc(NCC2CCCNC2)cc1.
What is the InChIKey of 4-fluoro-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is GQGNWFFVDVHEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14-15H,1-2,7-9H2.
What are the key properties of 4-fluoro-N-(piperidin-3-ylmethyl)aniline?
4-fluoro-N-(piperidin-3-ylmethyl)aniline has a molecular weight of 208.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 79020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).