1-benzyl-2,5-dimethylpiperidin-4-ol

C14H21NO — CID 3104852

IUPAC1-benzyl-2,5-dimethylpiperidin-4-ol
SMILESCC1CN(Cc2ccccc2)C(C)CC1O
InChIInChI=1S/C14H21NO/c1-11-9-15(12(2)8-14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyLDTHAFXMNUJREZ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.28
Rot. Bonds2

About 1-benzyl-2,5-dimethylpiperidin-4-ol

1-benzyl-2,5-dimethylpiperidin-4-ol (PubChem CID 3104852) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-benzyl-2,5-dimethylpiperidin-4-ol.

Molecular Properties

Compound Name1-benzyl-2,5-dimethylpiperidin-4-ol
PubChem CID3104852
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-benzyl-2,5-dimethylpiperidin-4-ol
SMILESCC1CN(Cc2ccccc2)C(C)CC1O
InChIInChI=1S/C14H21NO/c1-11-9-15(12(2)8-14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3
InChIKeyLDTHAFXMNUJREZ-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,5-dimethylpiperidin-4-ol?
The IUPAC name of 1-benzyl-2,5-dimethylpiperidin-4-ol (CID 3104852) is 1-benzyl-2,5-dimethylpiperidin-4-ol.
What is the SMILES notation for 1-benzyl-2,5-dimethylpiperidin-4-ol?
The canonical SMILES for 1-benzyl-2,5-dimethylpiperidin-4-ol is CC1CN(Cc2ccccc2)C(C)CC1O.
What is the InChIKey of 1-benzyl-2,5-dimethylpiperidin-4-ol?
The InChIKey is LDTHAFXMNUJREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-9-15(12(2)8-14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12,14,16H,8-10H2,1-2H3.
What are the key properties of 1-benzyl-2,5-dimethylpiperidin-4-ol?
1-benzyl-2,5-dimethylpiperidin-4-ol has a molecular weight of 219.33 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,5-dimethylpiperidin-4-ol is sourced from PubChem (CID 3104852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).