(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride

C12H17ClF2N2 — CID 171314322

IUPAC(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)ccc1F)C1CCNCC1
InChIInChI=1S/C12H16F2N2.ClH/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6,15H2;1H/t12-;/m1./s1
InChIKeyWESHVWZTLCVKJF-UTONKHPSSA-N
MW262.73 g/mol
LogP2.39
Rot. Bonds2

About (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314322) has the molecular formula C12H17ClF2N2 and a molecular weight of 262.73 g/mol. Its IUPAC name is (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314322
Molecular FormulaC12H17ClF2N2
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Name(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCl.N[C@@H](c1cc(F)ccc1F)C1CCNCC1
InChIInChI=1S/C12H16F2N2.ClH/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6,15H2;1H/t12-;/m1./s1
InChIKeyWESHVWZTLCVKJF-UTONKHPSSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287809
(R)-(2-bromo-5-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314252
4-[(R)-(2,5-difluorophenyl)-fluoromethyl]piperidine;hydrochloride
CID 90039406
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(R)-(2-bromo-4-fluorophenyl)-piperidin-4-ylmethanamine
CID 171314194
(4-fluoro-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 70196823
(R)-piperidin-4-yl-(2,4,6-trifluorophenyl)methanamine;hydrochloride
CID 171314352
(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(2,5-difluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanamine
CID 65410116
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314319
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191

Frequently Asked Questions

What is the IUPAC name of (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314322) is (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride is Cl.N[C@@H](c1cc(F)ccc1F)C1CCNCC1.
What is the InChIKey of (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is WESHVWZTLCVKJF-UTONKHPSSA-N. The full InChI is InChI=1S/C12H16F2N2.ClH/c13-9-1-2-11(14)10(7-9)12(15)8-3-5-16-6-4-8;/h1-2,7-8,12,16H,3-6,15H2;1H/t12-;/m1./s1.
What are the key properties of (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).