[(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol

C15H24NO+ — CID 7428119

IUPAC[(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
SMILESCc1ccc(C[NH+]2CCCC[C@@H]2CO)c(C)c1
InChIInChI=1S/C15H23NO/c1-12-6-7-14(13(2)9-12)10-16-8-4-3-5-15(16)11-17/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3/p+1/t15-/m1/s1
InChIKeyLPDHXJLJZRIPCY-OAHLLOKOSA-O
MW234.36 g/mol
LogP1.23
Rot. Bonds3

About [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol

[(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol (PubChem CID 7428119) has the molecular formula C15H24NO+ and a molecular weight of 234.36 g/mol. Its IUPAC name is [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
PubChem CID7428119
Molecular FormulaC15H24NO+
Molecular Weight234.36 g/mol
Exact Mass234.19
IUPAC Name[(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
SMILESCc1ccc(C[NH+]2CCCC[C@@H]2CO)c(C)c1
InChIInChI=1S/C15H23NO/c1-12-6-7-14(13(2)9-12)10-16-8-4-3-5-15(16)11-17/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3/p+1/t15-/m1/s1
InChIKeyLPDHXJLJZRIPCY-OAHLLOKOSA-O
XLogP1.23
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol
CID 6938156
1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
1-cyclohexyl-3-(2,4-dimethylphenyl)propan-1-one
CID 24726322
1-cyclobutyl-3-(2,4-dimethylphenyl)-2-methylpropan-1-one
CID 143639274
3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-2,6-dimethyl-1H-quinolin-4-one
CID 6929212
N-[(2,4-dimethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 83713467
(3aS,7aS)-2-[[(2,4-dimethylphenyl)methyl-methylamino]methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11938516
3-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]propanoic acid
CID 65072325
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidin-2-ylpiperidine
CID 60977609

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol (CID 7428119) is [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol is Cc1ccc(C[NH+]2CCCC[C@@H]2CO)c(C)c1.
What is the InChIKey of [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
The InChIKey is LPDHXJLJZRIPCY-OAHLLOKOSA-O. The full InChI is InChI=1S/C15H23NO/c1-12-6-7-14(13(2)9-12)10-16-8-4-3-5-15(16)11-17/h6-7,9,15,17H,3-5,8,10-11H2,1-2H3/p+1/t15-/m1/s1.
What are the key properties of [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol?
[(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol has a molecular weight of 234.36 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2,4-dimethylphenyl)methyl]piperidin-1-ium-2-yl]methanol is sourced from PubChem (CID 7428119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).