[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone

C22H27NO2 — CID 42160216

IUPAC[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H27NO2/c1-17-8-9-20(18(2)14-17)21(25)23-12-10-22(16-24,11-13-23)15-19-6-4-3-5-7-19/h3-9,14,24H,10-13,15-16H2,1-2H3
InChIKeyMIWSBSDHBMTTFS-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.76
Rot. Bonds4

About [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone

[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone (PubChem CID 42160216) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone.

Molecular Properties

Compound Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
PubChem CID42160216
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Name[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(C)c1
InChIInChI=1S/C22H27NO2/c1-17-8-9-20(18(2)14-17)21(25)23-12-10-22(16-24,11-13-23)15-19-6-4-3-5-7-19/h3-9,14,24H,10-13,15-16H2,1-2H3
InChIKeyMIWSBSDHBMTTFS-UHFFFAOYSA-N
XLogP3.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The IUPAC name of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone (CID 42160216) is [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone.
What is the SMILES notation for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The canonical SMILES for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone is Cc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(C)c1.
What is the InChIKey of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
The InChIKey is MIWSBSDHBMTTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c1-17-8-9-20(18(2)14-17)21(25)23-12-10-22(16-24,11-13-23)15-19-6-4-3-5-7-19/h3-9,14,24H,10-13,15-16H2,1-2H3.
What are the key properties of [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone?
[4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone has a molecular weight of 337.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-benzyl-4-(hydroxymethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone is sourced from PubChem (CID 42160216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).