4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine

C14H18ClNO2 — CID 117423049

IUPAC4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine
SMILESCCc1c2c(cc(Cl)c1C1CCNCC1)OCO2
InChIInChI=1S/C14H18ClNO2/c1-2-10-13(9-3-5-16-6-4-9)11(15)7-12-14(10)18-8-17-12/h7,9,16H,2-6,8H2,1H3
InChIKeyGWZFWOVHBLWPOQ-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.10
Rot. Bonds2

About 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine

4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine (PubChem CID 117423049) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine.

Molecular Properties

Compound Name4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine
PubChem CID117423049
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine
SMILESCCc1c2c(cc(Cl)c1C1CCNCC1)OCO2
InChIInChI=1S/C14H18ClNO2/c1-2-10-13(9-3-5-16-6-4-9)11(15)7-12-14(10)18-8-17-12/h7,9,16H,2-6,8H2,1H3
InChIKeyGWZFWOVHBLWPOQ-UHFFFAOYSA-N
XLogP3.10
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(6-chloro-4-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117423270
4-(8-chloro-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)piperidine
CID 117452512
4-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387252
2-(8-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117452481
4-(6-methoxy-1,3-benzodioxol-4-yl)piperidine
CID 117342505
4-[(6-bromo-5-methyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117497282
2-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117423009
4-[(6-chloro-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117387532
4-(4-chloro-1,3-benzodioxol-5-yl)piperidine
CID 117351988
3-(5-chloro-6-ethyl-2,3-dihydro-1,4-benzodioxin-7-yl)pyrrolidine
CID 117423040
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
4-[(8-chloro-5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]piperidine
CID 117476646

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine?
The IUPAC name of 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine (CID 117423049) is 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine.
What is the SMILES notation for 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine?
The canonical SMILES for 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine is CCc1c2c(cc(Cl)c1C1CCNCC1)OCO2.
What is the InChIKey of 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine?
The InChIKey is GWZFWOVHBLWPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-2-10-13(9-3-5-16-6-4-9)11(15)7-12-14(10)18-8-17-12/h7,9,16H,2-6,8H2,1H3.
What are the key properties of 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine?
4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine has a molecular weight of 267.76 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-4-ethyl-1,3-benzodioxol-5-yl)piperidine is sourced from PubChem (CID 117423049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).