[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol

C15H21NO4 — CID 2842904

IUPAC[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
SMILESCOc1cc(CN2CCCC(CO)C2)cc2c1OCO2
InChIInChI=1S/C15H21NO4/c1-18-13-5-12(6-14-15(13)20-10-19-14)8-16-4-2-3-11(7-16)9-17/h5-6,11,17H,2-4,7-10H2,1H3
InChIKeyURPGSBSFLHUJNG-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.63
Rot. Bonds4

About [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol

[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol (PubChem CID 2842904) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
PubChem CID2842904
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol
SMILESCOc1cc(CN2CCCC(CO)C2)cc2c1OCO2
InChIInChI=1S/C15H21NO4/c1-18-13-5-12(6-14-15(13)20-10-19-14)8-16-4-2-3-11(7-16)9-17/h5-6,11,17H,2-4,7-10H2,1H3
InChIKeyURPGSBSFLHUJNG-UHFFFAOYSA-N
XLogP1.63
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol (CID 2842904) is [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol is COc1cc(CN2CCCC(CO)C2)cc2c1OCO2.
What is the InChIKey of [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is URPGSBSFLHUJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-13-5-12(6-14-15(13)20-10-19-14)8-16-4-2-3-11(7-16)9-17/h5-6,11,17H,2-4,7-10H2,1H3.
What are the key properties of [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol?
[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 279.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 2842904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).