(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine

C12H16ClFN2 — CID 171314499

IUPAC(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C12H16ClFN2/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8/h1-3,8,12,16H,4-7,15H2/t12-/m1/s1
InChIKeyJIIHKEMZBBJAND-GFCCVEGCSA-N
MW242.72 g/mol
LogP2.48
Rot. Bonds2

About (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine

(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine (PubChem CID 171314499) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine.

Molecular Properties

Compound Name(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
PubChem CID171314499
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine
SMILESN[C@@H](c1cccc(Cl)c1F)C1CCNCC1
InChIInChI=1S/C12H16ClFN2/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8/h1-3,8,12,16H,4-7,15H2/t12-/m1/s1
InChIKeyJIIHKEMZBBJAND-GFCCVEGCSA-N
XLogP2.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-(3-chloro-2-fluorophenyl)-cyclopentylmethanamine;hydrochloride
CID 171209319
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine
CID 131479406
(R)-(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171249497
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(1R,2S)-2-amino-2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol;hydrochloride
CID 171161264
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-(2-chlorophenyl)-cyclopentylmethanamine
CID 91256846
cyclobutyl-(2-fluoro-3-methylphenyl)methanamine
CID 112630963
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(R)-(2-bromo-4-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314303
(3-bromo-2-fluorophenyl)-cyclobutylmethanamine
CID 103693583

Frequently Asked Questions

What is the IUPAC name of (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine?
The IUPAC name of (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine (CID 171314499) is (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine.
What is the SMILES notation for (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine?
The canonical SMILES for (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine is N[C@@H](c1cccc(Cl)c1F)C1CCNCC1.
What is the InChIKey of (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine?
The InChIKey is JIIHKEMZBBJAND-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H16ClFN2/c13-10-3-1-2-9(11(10)14)12(15)8-4-6-16-7-5-8/h1-3,8,12,16H,4-7,15H2/t12-/m1/s1.
What are the key properties of (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine?
(R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine has a molecular weight of 242.72 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3-chloro-2-fluorophenyl)-piperidin-4-ylmethanamine is sourced from PubChem (CID 171314499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).