(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

C17H32N2 — CID 102729049

IUPAC(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCC(CC1CCCCN1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C17H32N2/c1-14(13-16-9-4-5-11-18-16)19-12-6-8-15-7-2-3-10-17(15)19/h14-18H,2-13H2,1H3/t14?,15-,16?,17-/m1/s1
InChIKeyLOTDWARUOMERHD-MNAZLIDISA-N
MW264.46 g/mol
LogP3.56
Rot. Bonds3

About (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline

(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (PubChem CID 102729049) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.

Molecular Properties

Compound Name(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
PubChem CID102729049
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
SMILESCC(CC1CCCCN1)N1CCC[C@H]2CCCC[C@H]21
InChIInChI=1S/C17H32N2/c1-14(13-16-9-4-5-11-18-16)19-12-6-8-15-7-2-3-10-17(15)19/h14-18H,2-13H2,1H3/t14?,15-,16?,17-/m1/s1
InChIKeyLOTDWARUOMERHD-MNAZLIDISA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-piperidin-2-ylpropan-2-yl)azocane
CID 113462116
(2S,6R)-2,6-dimethyl-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 104969260
1-(piperidin-2-ylmethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65320906
2-cyclopentyl-1-[[(2R)-pyrrolidin-2-yl]methyl]pyrrolidine
CID 102819466
3-methyl-4-(1-piperidin-2-ylpropan-2-yl)piperazine-2,6-dione
CID 113462240
1-butan-2-yl-2-cyclopropylpyrrolidine
CID 131083099
(3aR,7aR)-1-butan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole
CID 130978480
1-[[(2S)-pyrrolidin-2-yl]methyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 104870161
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 102728580
1-(2-cyclopentylpyrrolidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119744515
3-(1-piperidin-2-ylpropan-2-yl)-6-(2-pyrrolidin-1-ylpropyl)-3-azabicyclo[3.1.0]hexane
CID 135197051
4-ethoxy-1-(1-piperidin-2-ylpropan-2-yl)piperidine
CID 113462143

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The IUPAC name of (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline (CID 102729049) is (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline.
What is the SMILES notation for (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The canonical SMILES for (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is CC(CC1CCCCN1)N1CCC[C@H]2CCCC[C@H]21.
What is the InChIKey of (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
The InChIKey is LOTDWARUOMERHD-MNAZLIDISA-N. The full InChI is InChI=1S/C17H32N2/c1-14(13-16-9-4-5-11-18-16)19-12-6-8-15-7-2-3-10-17(15)19/h14-18H,2-13H2,1H3/t14?,15-,16?,17-/m1/s1.
What are the key properties of (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline?
(4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline has a molecular weight of 264.46 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-1-(1-piperidin-2-ylpropan-2-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline is sourced from PubChem (CID 102729049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).