1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C18H34N2 — CID 63129391

IUPAC1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCCC1(CN2CCCC3CCCCC32)CCNCC1
InChIInChI=1S/C18H34N2/c1-2-9-18(10-12-19-13-11-18)15-20-14-5-7-16-6-3-4-8-17(16)20/h16-17,19H,2-15H2,1H3
InChIKeyUPTWXQNEBOYPHW-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.81
Rot. Bonds4

About 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 63129391) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID63129391
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCCC1(CN2CCCC3CCCCC32)CCNCC1
InChIInChI=1S/C18H34N2/c1-2-9-18(10-12-19-13-11-18)15-20-14-5-7-16-6-3-4-8-17(16)20/h16-17,19H,2-15H2,1H3
InChIKeyUPTWXQNEBOYPHW-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 63129391) is 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCCC1(CN2CCCC3CCCCC32)CCNCC1.
What is the InChIKey of 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is UPTWXQNEBOYPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-2-9-18(10-12-19-13-11-18)15-20-14-5-7-16-6-3-4-8-17(16)20/h16-17,19H,2-15H2,1H3.
What are the key properties of 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 278.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-propylpiperidin-4-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 63129391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).