(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride

C13H20ClFN2 — CID 171314319

IUPAC(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCc1cc([C@H](N)C2CCNCC2)ccc1F.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-9-8-11(2-3-12(9)14)13(15)10-4-6-16-7-5-10;/h2-3,8,10,13,16H,4-7,15H2,1H3;1H/t13-;/m1./s1
InChIKeyAZYCKWYJLSTXRW-BTQNPOSSSA-N
MW258.77 g/mol
LogP2.56
Rot. Bonds2

About (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride

(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride (PubChem CID 171314319) has the molecular formula C13H20ClFN2 and a molecular weight of 258.77 g/mol. Its IUPAC name is (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
PubChem CID171314319
Molecular FormulaC13H20ClFN2
Molecular Weight258.77 g/mol
Exact Mass258.13
IUPAC Name(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
SMILESCc1cc([C@H](N)C2CCNCC2)ccc1F.Cl
InChIInChI=1S/C13H19FN2.ClH/c1-9-8-11(2-3-12(9)14)13(15)10-4-6-16-7-5-10;/h2-3,8,10,13,16H,4-7,15H2,1H3;1H/t13-;/m1./s1
InChIKeyAZYCKWYJLSTXRW-BTQNPOSSSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-difluorophenyl)-piperidin-4-ylmethanamine
CID 82287810
(S)-cyclohexyl-(4-fluoro-3-methylphenyl)methanamine
CID 39244944
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
2,3-dihydro-1H-inden-2-yl-(4-fluoro-3-methylphenyl)methanamine
CID 65411297
(4-fluoro-3-methylphenyl)-piperidin-2-ylmethanamine
CID 116935640
(S)-cyclopropyl-(3,4-difluorophenyl)methanamine;hydrochloride
CID 171229648
(R)-(3,4-dichlorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314201
(R)-(4-fluoro-2-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314219
(R)-(2,5-difluorophenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314322
(R)-(3-chlorophenyl)-piperidin-4-ylmethanamine
CID 171314128
1-[(R)-cyclopropyl-(4-fluoro-3-methylphenyl)methyl]piperazine
CID 28799243

Frequently Asked Questions

What is the IUPAC name of (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The IUPAC name of (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride (CID 171314319) is (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride.
What is the SMILES notation for (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The canonical SMILES for (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride is Cc1cc([C@H](N)C2CCNCC2)ccc1F.Cl.
What is the InChIKey of (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride?
The InChIKey is AZYCKWYJLSTXRW-BTQNPOSSSA-N. The full InChI is InChI=1S/C13H19FN2.ClH/c1-9-8-11(2-3-12(9)14)13(15)10-4-6-16-7-5-10;/h2-3,8,10,13,16H,4-7,15H2,1H3;1H/t13-;/m1./s1.
What are the key properties of (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride?
(R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride has a molecular weight of 258.77 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-fluoro-3-methylphenyl)-piperidin-4-ylmethanamine;hydrochloride is sourced from PubChem (CID 171314319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).