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

C17H32N2 — CID 114430782

IUPAC1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCC1CCNC(CN2CCCC3CCCCC32)C1
InChIInChI=1S/C17H32N2/c1-2-14-9-10-18-16(12-14)13-19-11-5-7-15-6-3-4-8-17(15)19/h14-18H,2-13H2,1H3
InChIKeyPCRNIFRPBKFPLI-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.42
Rot. Bonds3

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

1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 114430782) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID114430782
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCCC1CCNC(CN2CCCC3CCCCC32)C1
InChIInChI=1S/C17H32N2/c1-2-14-9-10-18-16(12-14)13-19-11-5-7-15-6-3-4-8-17(15)19/h14-18H,2-13H2,1H3
InChIKeyPCRNIFRPBKFPLI-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 114430782) is 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CCC1CCNC(CN2CCCC3CCCCC32)C1.
What is the InChIKey of 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is PCRNIFRPBKFPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-2-14-9-10-18-16(12-14)13-19-11-5-7-15-6-3-4-8-17(15)19/h14-18H,2-13H2,1H3.
What are the key properties of 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 264.46 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylpiperidin-2-yl)methyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 114430782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).