1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine

C15H27NO — CID 6543249

IUPAC1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
SMILESC=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1CN1CCCCC1
InChIInChI=1S/C15H27NO/c1-12(2)14-8-7-13(3)17-15(14)11-16-9-5-4-6-10-16/h13-15H,1,4-11H2,2-3H3/t13-,14+,15-/m1/s1
InChIKeyHBGZKWRENUTODV-QLFBSQMISA-N
MW237.39 g/mol
LogP3.23
Rot. Bonds3

About 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine

1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine (PubChem CID 6543249) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
PubChem CID6543249
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
SMILESC=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1CN1CCCCC1
InChIInChI=1S/C15H27NO/c1-12(2)14-8-7-13(3)17-15(14)11-16-9-5-4-6-10-16/h13-15H,1,4-11H2,2-3H3/t13-,14+,15-/m1/s1
InChIKeyHBGZKWRENUTODV-QLFBSQMISA-N
XLogP3.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine (CID 6543249) is 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine is C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1CN1CCCCC1.
What is the InChIKey of 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
The InChIKey is HBGZKWRENUTODV-QLFBSQMISA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)14-8-7-13(3)17-15(14)11-16-9-5-4-6-10-16/h13-15H,1,4-11H2,2-3H3/t13-,14+,15-/m1/s1.
What are the key properties of 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine has a molecular weight of 237.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S,3S,6R)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine is sourced from PubChem (CID 6543249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).