1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine

C19H33NO2 — CID 7007392

IUPAC1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@@H](CN2CCCCC2)O1
InChIInChI=1S/C19H33NO2/c1-19(2)15-7-6-14(10-15)17(19)11-18-21-13-16(22-18)12-20-8-4-3-5-9-20/h14-18H,3-13H2,1-2H3/t14-,15+,16+,17+,18-/m0/s1
InChIKeyIUQYLYYXKZJRJM-TZNCUMHOSA-N
MW307.48 g/mol
LogP3.68
Rot. Bonds4

About 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine

1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 7007392) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID7007392
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine
SMILESCC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@@H](CN2CCCCC2)O1
InChIInChI=1S/C19H33NO2/c1-19(2)15-7-6-14(10-15)17(19)11-18-21-13-16(22-18)12-20-8-4-3-5-9-20/h14-18H,3-13H2,1-2H3/t14-,15+,16+,17+,18-/m0/s1
InChIKeyIUQYLYYXKZJRJM-TZNCUMHOSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The IUPAC name of 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine (CID 7007392) is 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine is CC1(C)[C@@H]2CC[C@@H](C2)[C@H]1C[C@H]1OC[C@@H](CN2CCCCC2)O1.
What is the InChIKey of 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is IUQYLYYXKZJRJM-TZNCUMHOSA-N. The full InChI is InChI=1S/C19H33NO2/c1-19(2)15-7-6-14(10-15)17(19)11-18-21-13-16(22-18)12-20-8-4-3-5-9-20/h14-18H,3-13H2,1-2H3/t14-,15+,16+,17+,18-/m0/s1.
What are the key properties of 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine has a molecular weight of 307.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4R)-2-[[(1S,2R,4R)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 7007392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).