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

C19H33NO2 — CID 1378758

IUPAC1-[[(2S,4R)-2-[[(1R,2R,4S)-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+/m1/s1
InChIKeyIUQYLYYXKZJRJM-ILOCAZANSA-N
MW307.48 g/mol
LogP3.68
Rot. Bonds4

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

1-[[(2S,4R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 1378758) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 1-[[(2S,4R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S,4R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID1378758
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name1-[[(2S,4R)-2-[[(1R,2R,4S)-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+/m1/s1
InChIKeyIUQYLYYXKZJRJM-ILOCAZANSA-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-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine with MolForge

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Launch Full Analysis

Related Compounds

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
1-[[(2S,4S)-2-[[(1R,2S,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 40534602
1-[[(2S,4R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium
CID 11861549
1-(oxiran-2-ylmethyl)pyrrolidine
CID 13313617
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine
CID 1378756
1-[[(2R,4R)-2-[2-(4-tert-butylphenyl)ethyl]-1,3-dioxolan-4-yl]methyl]pyrrolidine
CID 804531
3-[(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)methyl]-2,6,6-trimethylbicyclo[3.1.1]heptane
CID 22609157
3-methyl-1-(oxiran-2-ylmethyl)-azacyclopentadecane
CID 146534303
4-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)-2-ethylbut-2-en-1-ol
CID 53426218
1-(cyclohexylmethyl)-4-(oxiran-2-ylmethyl)piperazine
CID 86661984
N-methyl-1-[5-(pyrrolidin-1-ylmethyl)oxolan-2-yl]methanamine
CID 62437708

Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4R)-2-[[(1R,2R,4S)-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-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine (CID 1378758) is 1-[[(2S,4R)-2-[[(1R,2R,4S)-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-[[(1R,2R,4S)-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-[[(1R,2R,4S)-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-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is IUQYLYYXKZJRJM-ILOCAZANSA-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+/m1/s1.
What are the key properties of 1-[[(2S,4R)-2-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[(2S,4R)-2-[[(1R,2R,4S)-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-[[(1R,2R,4S)-3,3-dimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 1378758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).