3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine

C16H22ClNO2 — CID 117476637

IUPAC3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
SMILESCC(C)c1c(CC2CCCNC2)cc(Cl)c2c1OCO2
InChIInChI=1S/C16H22ClNO2/c1-10(2)14-12(6-11-4-3-5-18-8-11)7-13(17)15-16(14)20-9-19-15/h7,10-11,18H,3-6,8-9H2,1-2H3
InChIKeyQKJWAMONJMDZFC-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.73
Rot. Bonds3

About 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine

3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine (PubChem CID 117476637) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine.

Molecular Properties

Compound Name3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
PubChem CID117476637
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine
SMILESCC(C)c1c(CC2CCCNC2)cc(Cl)c2c1OCO2
InChIInChI=1S/C16H22ClNO2/c1-10(2)14-12(6-11-4-3-5-18-8-11)7-13(17)15-16(14)20-9-19-15/h7,10-11,18H,3-6,8-9H2,1-2H3
InChIKeyQKJWAMONJMDZFC-UHFFFAOYSA-N
XLogP3.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6,7-dimethyl-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117371526
3-[[6-(1-fluoroethyl)-1,3-benzodioxol-4-yl]methyl]piperidine
CID 117417365
3-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423037
2-(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)pyrrolidine
CID 117423026
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(6-bromo-7-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 117497278
3-[(6-chloro-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117452568
3-[(2-methyl-5-propan-2-ylphenyl)methyl]piperidine
CID 82495631
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
3-(7-chloro-4-methyl-1,3-benzodioxol-5-yl)piperidine
CID 117387256
3-[(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)methyl]piperidine
CID 117479530

Frequently Asked Questions

What is the IUPAC name of 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine?
The IUPAC name of 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine (CID 117476637) is 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine.
What is the SMILES notation for 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine?
The canonical SMILES for 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine is CC(C)c1c(CC2CCCNC2)cc(Cl)c2c1OCO2.
What is the InChIKey of 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine?
The InChIKey is QKJWAMONJMDZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-10(2)14-12(6-11-4-3-5-18-8-11)7-13(17)15-16(14)20-9-19-15/h7,10-11,18H,3-6,8-9H2,1-2H3.
What are the key properties of 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine?
3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine has a molecular weight of 295.81 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-chloro-4-propan-2-yl-1,3-benzodioxol-5-yl)methyl]piperidine is sourced from PubChem (CID 117476637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).