1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine

C18H25NO2 — CID 165360308

IUPAC1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
SMILESc1cc2c(cc1C1(N3CCCCC3)CCCCC1)OCO2
InChIInChI=1S/C18H25NO2/c1-3-9-18(10-4-1,19-11-5-2-6-12-19)15-7-8-16-17(13-15)21-14-20-16/h7-8,13H,1-6,9-12,14H2
InChIKeyANUGFLCSICVCSB-UHFFFAOYSA-N
MW287.40 g/mol
LogP4.06
Rot. Bonds2

About 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine

1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine (PubChem CID 165360308) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
PubChem CID165360308
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
SMILESc1cc2c(cc1C1(N3CCCCC3)CCCCC1)OCO2
InChIInChI=1S/C18H25NO2/c1-3-9-18(10-4-1,19-11-5-2-6-12-19)15-7-8-16-17(13-15)21-14-20-16/h7-8,13H,1-6,9-12,14H2
InChIKeyANUGFLCSICVCSB-UHFFFAOYSA-N
XLogP4.06
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine?
The IUPAC name of 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine (CID 165360308) is 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine?
The canonical SMILES for 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine is c1cc2c(cc1C1(N3CCCCC3)CCCCC1)OCO2.
What is the InChIKey of 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine?
The InChIKey is ANUGFLCSICVCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-9-18(10-4-1,19-11-5-2-6-12-19)15-7-8-16-17(13-15)21-14-20-16/h7-8,13H,1-6,9-12,14H2.
What are the key properties of 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine?
1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine has a molecular weight of 287.40 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine is sourced from PubChem (CID 165360308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).