1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine

C12H16ClFN2 — CID 22396269

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2/c13-11-7-9(1-2-12(11)14)8-16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,8,15H2
InChIKeyALGMTGVLDUQQSJ-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.40
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine

1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine (PubChem CID 22396269) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine
PubChem CID22396269
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine
SMILESNC1CCN(Cc2ccc(F)c(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2/c13-11-7-9(1-2-12(11)14)8-16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,8,15H2
InChIKeyALGMTGVLDUQQSJ-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-piperidylamine
CID 415852
1-(3-Chlorobenzyl)piperazine
CID 764727
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
4-(4-Fluorobenzylamino)-1-methylpiperidine
CID 2846645
4-Chlorobenzylpiperazine
CID 134826
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405
N-[2-(4-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 2846508
(S)-(3-chlorophenyl)-[(2S)-1-[1-(3,5-difluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 10193971
(S)-(3-chlorophenyl)-[(2S)-1-[1-(3-fluorophenyl)pentyl]azetidin-2-yl]methanamine
CID 44337249

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine (CID 22396269) is 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine is NC1CCN(Cc2ccc(F)c(Cl)c2)CC1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine?
The InChIKey is ALGMTGVLDUQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-11-7-9(1-2-12(11)14)8-16-5-3-10(15)4-6-16/h1-2,7,10H,3-6,8,15H2.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine?
1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine has a molecular weight of 242.72 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 22396269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).