(4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

C14H25NO2 — CID 97379506

IUPAC(4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOC[C@]12CCCO[C@H]1CCN(CC1CC1)C2
InChIInChI=1S/C14H25NO2/c1-16-11-14-6-2-8-17-13(14)5-7-15(10-14)9-12-3-4-12/h12-13H,2-11H2,1H3/t13-,14+/m0/s1
InChIKeyUDHXMYVILOGCFL-UONOGXRCSA-N
MW239.36 g/mol
LogP1.91
Rot. Bonds4

About (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine

(4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (PubChem CID 97379506) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.

Molecular Properties

Compound Name(4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
PubChem CID97379506
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
SMILESCOC[C@]12CCCO[C@H]1CCN(CC1CC1)C2
InChIInChI=1S/C14H25NO2/c1-16-11-14-6-2-8-17-13(14)5-7-15(10-14)9-12-3-4-12/h12-13H,2-11H2,1H3/t13-,14+/m0/s1
InChIKeyUDHXMYVILOGCFL-UONOGXRCSA-N
XLogP1.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The IUPAC name of (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine (CID 97379506) is (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine.
What is the SMILES notation for (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The canonical SMILES for (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is COC[C@]12CCCO[C@H]1CCN(CC1CC1)C2.
What is the InChIKey of (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
The InChIKey is UDHXMYVILOGCFL-UONOGXRCSA-N. The full InChI is InChI=1S/C14H25NO2/c1-16-11-14-6-2-8-17-13(14)5-7-15(10-14)9-12-3-4-12/h12-13H,2-11H2,1H3/t13-,14+/m0/s1.
What are the key properties of (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine?
(4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine has a molecular weight of 239.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aS)-6-(cyclopropylmethyl)-4a-(methoxymethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine is sourced from PubChem (CID 97379506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).