[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine

C12H16BrFN2 — CID 115052415

IUPAC[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
SMILESNCC1(F)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrFN2/c13-10-1-3-11(4-2-10)16-7-5-12(14,9-15)6-8-16/h1-4H,5-9,15H2
InChIKeySZOHHMANZJPHJE-UHFFFAOYSA-N
MW287.18 g/mol
LogP2.72
Rot. Bonds2

About [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine

[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine (PubChem CID 115052415) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
PubChem CID115052415
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC Name[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
SMILESNCC1(F)CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C12H16BrFN2/c13-10-1-3-11(4-2-10)16-7-5-12(14,9-15)6-8-16/h1-4H,5-9,15H2
InChIKeySZOHHMANZJPHJE-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol
CID 115034562
[1-(4-bromophenyl)-4-(fluoromethyl)piperidin-4-yl]methanamine
CID 115053451
[4-amino-1-(4-bromophenyl)piperidin-4-yl]methanol
CID 115052226
6-(4-bromophenyl)-1-oxa-6-azaspiro[2.5]octane
CID 162742042
[1-(2-bromophenyl)-4-fluoroazepan-4-yl]methanamine
CID 115053446
1-(4-bromophenyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-ol
CID 170554897
3-bromo-8-(4-bromophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-3-ene
CID 123275274
(3-fluoro-1-phenylpiperidin-3-yl)methanamine
CID 115025936
1-(4-bromophenyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 67513524
1-(4-bromophenyl)piperazine;hydrochloride
CID 14422838
4-(4-fluoro-4-methylpiperidin-1-yl)aniline
CID 115025957
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine?
The IUPAC name of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine (CID 115052415) is [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine is NCC1(F)CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine?
The InChIKey is SZOHHMANZJPHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c13-10-1-3-11(4-2-10)16-7-5-12(14,9-15)6-8-16/h1-4H,5-9,15H2.
What are the key properties of [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine?
[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine has a molecular weight of 287.18 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine is sourced from PubChem (CID 115052415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).