[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol

C14H21NO — CID 796363

IUPAC[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
SMILESCc1ccccc1CN1CCCC[C@@H]1CO
InChIInChI=1S/C14H21NO/c1-12-6-2-3-7-13(12)10-15-9-5-4-8-14(15)11-16/h2-3,6-7,14,16H,4-5,8-11H2,1H3/t14-/m1/s1
InChIKeyBKHIAHWMJAFDIT-CQSZACIVSA-N
MW219.33 g/mol
LogP2.34
Rot. Bonds3

About [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol

[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol (PubChem CID 796363) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
PubChem CID796363
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
SMILESCc1ccccc1CN1CCCC[C@@H]1CO
InChIInChI=1S/C14H21NO/c1-12-6-2-3-7-13(12)10-15-9-5-4-8-14(15)11-16/h2-3,6-7,14,16H,4-5,8-11H2,1H3/t14-/m1/s1
InChIKeyBKHIAHWMJAFDIT-CQSZACIVSA-N
XLogP2.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2,5-dimethylphenyl)methyl]azepan-2-yl]methanol
CID 116637472
2-(bromomethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 80668518
2-(chloromethyl)-1-[(2-methylphenyl)methyl]pyrrolidine
CID 63387327
N'-hydroxy-2-[[2-(hydroxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 61406641
[1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]methanol
CID 111858339
[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanol
CID 3116751
[1-[[2-(aminomethyl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 61407811
1-[1-[(2-methylphenyl)methyl]piperidin-2-yl]ethanone
CID 63846016
[1-[(2,3-difluorophenyl)methyl]piperidin-2-yl]methanol
CID 60968324
N-[[1-[(2-methylphenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62580367
[1-[(2-nitrophenyl)methyl]azepan-2-yl]methanol
CID 116637573
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol (CID 796363) is [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol is Cc1ccccc1CN1CCCC[C@@H]1CO.
What is the InChIKey of [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol?
The InChIKey is BKHIAHWMJAFDIT-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21NO/c1-12-6-2-3-7-13(12)10-15-9-5-4-8-14(15)11-16/h2-3,6-7,14,16H,4-5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol?
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol has a molecular weight of 219.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 796363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).