1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine

C17H33NO2 — CID 1378756

IUPAC1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine
SMILESC[C@@H](C[C@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-14(11-17(2,3)4)10-16-19-13-15(20-16)12-18-8-6-5-7-9-18/h14-16H,5-13H2,1-4H3/t14-,15-,16-/m0/s1
InChIKeyHFXRXQYPTWPANL-JYJNAYRXSA-N
MW283.46 g/mol
LogP3.68
Rot. Bonds5

About 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine

1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine (PubChem CID 1378756) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine
PubChem CID1378756
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine
SMILESC[C@@H](C[C@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C
InChIInChI=1S/C17H33NO2/c1-14(11-17(2,3)4)10-16-19-13-15(20-16)12-18-8-6-5-7-9-18/h14-16H,5-13H2,1-4H3/t14-,15-,16-/m0/s1
InChIKeyHFXRXQYPTWPANL-JYJNAYRXSA-N
XLogP3.68
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The IUPAC name of 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine (CID 1378756) is 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine is C[C@@H](C[C@H]1OC[C@H](CN2CCCCC2)O1)CC(C)(C)C.
What is the InChIKey of 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine?
The InChIKey is HFXRXQYPTWPANL-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H33NO2/c1-14(11-17(2,3)4)10-16-19-13-15(20-16)12-18-8-6-5-7-9-18/h14-16H,5-13H2,1-4H3/t14-,15-,16-/m0/s1.
What are the key properties of 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine?
1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine has a molecular weight of 283.46 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,4S)-2-[(2R)-2,4,4-trimethylpentyl]-1,3-dioxolan-4-yl]methyl]piperidine is sourced from PubChem (CID 1378756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).