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

C15H27NO — CID 793972

IUPAC1-[[(2R,3S,6S)-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-/m0/s1
InChIKeyHBGZKWRENUTODV-KKUMJFAQSA-N
MW237.39 g/mol
LogP3.23
Rot. Bonds3

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

1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine (PubChem CID 793972) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine
PubChem CID793972
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[[(2R,3S,6S)-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-/m0/s1
InChIKeyHBGZKWRENUTODV-KKUMJFAQSA-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-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
The IUPAC name of 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine (CID 793972) is 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine.
What is the SMILES notation for 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
The canonical SMILES for 1-[[(2R,3S,6S)-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-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
The InChIKey is HBGZKWRENUTODV-KKUMJFAQSA-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-/m0/s1.
What are the key properties of 1-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine?
1-[[(2R,3S,6S)-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-[[(2R,3S,6S)-6-methyl-3-prop-1-en-2-yloxan-2-yl]methyl]piperidine is sourced from PubChem (CID 793972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).