[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol

C15H21NO3 — CID 117019827

IUPAC[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol
SMILESCC1(C)C(CO)CCCN1c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3/c1-15(2)11(9-17)4-3-7-16(15)12-5-6-13-14(8-12)19-10-18-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeySQCUOEGVJFLISM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.40
Rot. Bonds2

About [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol

[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol (PubChem CID 117019827) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol
PubChem CID117019827
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol
SMILESCC1(C)C(CO)CCCN1c1ccc2c(c1)OCO2
InChIInChI=1S/C15H21NO3/c1-15(2)11(9-17)4-3-7-16(15)12-5-6-13-14(8-12)19-10-18-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3
InChIKeySQCUOEGVJFLISM-UHFFFAOYSA-N
XLogP2.40
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol?
The IUPAC name of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol (CID 117019827) is [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol is CC1(C)C(CO)CCCN1c1ccc2c(c1)OCO2.
What is the InChIKey of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol?
The InChIKey is SQCUOEGVJFLISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(2)11(9-17)4-3-7-16(15)12-5-6-13-14(8-12)19-10-18-13/h5-6,8,11,17H,3-4,7,9-10H2,1-2H3.
What are the key properties of [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol?
[1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol has a molecular weight of 263.34 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzodioxol-5-yl)-2,2-dimethylpiperidin-3-yl]methanol is sourced from PubChem (CID 117019827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).