4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine

C13H17NO3 — CID 117342505

IUPAC4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
SMILESCOc1cc2c(c(C3CCNCC3)c1)OCO2
InChIInChI=1S/C13H17NO3/c1-15-10-6-11(9-2-4-14-5-3-9)13-12(7-10)16-8-17-13/h6-7,9,14H,2-5,8H2,1H3
InChIKeyQSVJKWCNEJYJHE-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.89
Rot. Bonds2

About 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine

4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine (PubChem CID 117342505) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine.

Molecular Properties

Compound Name4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
PubChem CID117342505
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
SMILESCOc1cc2c(c(C3CCNCC3)c1)OCO2
InChIInChI=1S/C13H17NO3/c1-15-10-6-11(9-2-4-14-5-3-9)13-12(7-10)16-8-17-13/h6-7,9,14H,2-5,8H2,1H3
InChIKeyQSVJKWCNEJYJHE-UHFFFAOYSA-N
XLogP1.89
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387252
2-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)piperidine
CID 117376371
4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine
CID 117423049
(4R)-4-(4-fluorophenyl)azepane;5-methoxy-1,3-benzodioxole
CID 143402043
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
CID 117351988
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
(R)-(7-methoxy-1,3-benzodioxol-5-yl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314751
4-[(6-bromo-5-methyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117497282
4-(2-fluoro-4-methoxyphenyl)piperidine;hydrochloride
CID 134691223
4,6-dimethoxy-3-piperidin-4-yl-1H-indole
CID 82212376
4-bromo-6-pyrrolidin-3-yl-1,3-benzodioxol-5-ol
CID 117460692

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine?
The IUPAC name of 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine (CID 117342505) is 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine.
What is the SMILES notation for 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine?
The canonical SMILES for 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine is COc1cc2c(c(C3CCNCC3)c1)OCO2.
What is the InChIKey of 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine?
The InChIKey is QSVJKWCNEJYJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-15-10-6-11(9-2-4-14-5-3-9)13-12(7-10)16-8-17-13/h6-7,9,14H,2-5,8H2,1H3.
What are the key properties of 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine?
4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine has a molecular weight of 235.28 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine is sourced from PubChem (CID 117342505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).