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

C12H17FN2 — CID 79020017

IUPAC3-fluoro-N-(piperidin-3-ylmethyl)aniline
SMILESFc1cccc(NCC2CCCNC2)c1
InChIInChI=1S/C12H17FN2/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1,4-5,7,10,14-15H,2-3,6,8-9H2
InChIKeyGZGYILZMBFKFMB-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.24
Rot. Bonds3

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

3-fluoro-N-(piperidin-3-ylmethyl)aniline (PubChem CID 79020017) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 3-fluoro-N-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-fluoro-N-(piperidin-3-ylmethyl)aniline
PubChem CID79020017
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name3-fluoro-N-(piperidin-3-ylmethyl)aniline
SMILESFc1cccc(NCC2CCCNC2)c1
InChIInChI=1S/C12H17FN2/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1,4-5,7,10,14-15H,2-3,6,8-9H2
InChIKeyGZGYILZMBFKFMB-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

4-fluoro-N-(piperidin-3-ylmethyl)aniline
CID 79020016
1-(3-fluorophenyl)-3-[[(3S)-piperidin-3-yl]methyl]urea
CID 51892143
3-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018540
N-(piperidin-3-ylmethyl)-3-(1,2,4-triazol-4-yl)aniline
CID 80553652
N-(piperidin-3-ylmethyl)-3-(1H-pyrazol-5-yl)aniline
CID 80554258
2-[3-(piperidin-3-ylmethylamino)phenoxy]acetonitrile
CID 80554089
3-cyclopropyl-7-N-(3-fluorophenyl)-5-N-[[(3S)-piperidin-3-yl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 155104155
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
3-(4-methyl-1,2,4-triazol-3-yl)-N-(piperidin-3-ylmethyl)aniline
CID 80554256
6-(piperidin-3-ylmethylamino)-1,4-dihydroquinoxaline-2,3-dione
CID 80554033

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 3-fluoro-N-(piperidin-3-ylmethyl)aniline (CID 79020017) is 3-fluoro-N-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 3-fluoro-N-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 3-fluoro-N-(piperidin-3-ylmethyl)aniline is Fc1cccc(NCC2CCCNC2)c1.
What is the InChIKey of 3-fluoro-N-(piperidin-3-ylmethyl)aniline?
The InChIKey is GZGYILZMBFKFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1,4-5,7,10,14-15H,2-3,6,8-9H2.
What are the key properties of 3-fluoro-N-(piperidin-3-ylmethyl)aniline?
3-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 3-fluoro-N-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 79020017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).