(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride

C13H20ClN — CID 171195444

IUPAC(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
SMILESCc1cccc(C)c1[C@H]1CCCCN1.Cl
InChIInChI=1S/C13H19N.ClH/c1-10-6-5-7-11(2)13(10)12-8-3-4-9-14-12;/h5-7,12,14H,3-4,8-9H2,1-2H3;1H/t12-;/m1./s1
InChIKeyYMPXUHGHGCQGKU-UTONKHPSSA-N
MW225.76 g/mol
LogP3.54
Rot. Bonds1

About (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride

(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride (PubChem CID 171195444) has the molecular formula C13H20ClN and a molecular weight of 225.76 g/mol. Its IUPAC name is (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
PubChem CID171195444
Molecular FormulaC13H20ClN
Molecular Weight225.76 g/mol
Exact Mass225.13
IUPAC Name(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride
SMILESCc1cccc(C)c1[C@H]1CCCCN1.Cl
InChIInChI=1S/C13H19N.ClH/c1-10-6-5-7-11(2)13(10)12-8-3-4-9-14-12;/h5-7,12,14H,3-4,8-9H2,1-2H3;1H/t12-;/m1./s1
InChIKeyYMPXUHGHGCQGKU-UTONKHPSSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.76
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
3,6-dimethyl-2-[(2S)-pyrrolidin-2-yl]phenol
CID 96751347
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
(2S)-2-(2-chloro-3-methylphenyl)pyrrolidine
CID 55274966
2-(2-methoxy-3-methylphenyl)azepane
CID 5021978
2-(2,3-difluoro-4-methylphenyl)piperidine
CID 84678474
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-(3-methyl-2-pyridinyl)azepane
CID 81148387
(2S)-2-(2-chloro-6-fluorophenyl)piperidine;hydrochloride
CID 171194835
(2R)-2-(3-methylphenyl)azepane
CID 7048257
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2-(azocan-2-yl)-4-methyl-1H-benzimidazole
CID 114239782

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride?
The IUPAC name of (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride (CID 171195444) is (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride is Cc1cccc(C)c1[C@H]1CCCCN1.Cl.
What is the InChIKey of (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride?
The InChIKey is YMPXUHGHGCQGKU-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19N.ClH/c1-10-6-5-7-11(2)13(10)12-8-3-4-9-14-12;/h5-7,12,14H,3-4,8-9H2,1-2H3;1H/t12-;/m1./s1.
What are the key properties of (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride?
(2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride has a molecular weight of 225.76 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,6-dimethylphenyl)piperidine;hydrochloride is sourced from PubChem (CID 171195444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).