(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride

C21H32ClNO2 — CID 20533457

IUPAC(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride
SMILESCCCCC1(OC(C)=O)CCN2CC(c3ccccc3)CCC2C1.Cl
InChIInChI=1S/C21H31NO2.ClH/c1-3-4-12-21(24-17(2)23)13-14-22-16-19(10-11-20(22)15-21)18-8-6-5-7-9-18;/h5-9,19-20H,3-4,10-16H2,1-2H3;1H
InChIKeyLZLBXRGFFCZFJX-UHFFFAOYSA-N
MW365.95 g/mol
LogP4.94
Rot. Bonds5

About (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride

(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride (PubChem CID 20533457) has the molecular formula C21H32ClNO2 and a molecular weight of 365.95 g/mol. Its IUPAC name is (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride.

Molecular Properties

Compound Name(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride
PubChem CID20533457
Molecular FormulaC21H32ClNO2
Molecular Weight365.95 g/mol
Exact Mass365.21
IUPAC Name(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride
SMILESCCCCC1(OC(C)=O)CCN2CC(c3ccccc3)CCC2C1.Cl
InChIInChI=1S/C21H31NO2.ClH/c1-3-4-12-21(24-17(2)23)13-14-22-16-19(10-11-20(22)15-21)18-8-6-5-7-9-18;/h5-9,19-20H,3-4,10-16H2,1-2H3;1H
InChIKeyLZLBXRGFFCZFJX-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.95
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride with MolForge

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Related Compounds

2-butyl-7-phenyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 54337398
(2S,7R,9aR)-2-butyl-7-(2,4-dichlorophenyl)-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol;hydrochloride
CID 45260199
1-amino-3-(3-phenylpyrrolidin-1-yl)cyclohexane-1-carboxamide
CID 79626357
1-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)cyclopentane-1-carbonitrile
CID 79639357
butyl 2-(3-phenylpyrrolidin-1-yl)acetate
CID 51128738
N-[(1S)-1'-(4-phenylcyclohexyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 59433832
2-(2-cyclopropyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl)-N-methylacetamide
CID 72841925
N-pentyl-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95317674
N-(2-butoxyethyl)-N'-methyl-3-phenylpyrrolidine-1-carboximidamide
CID 111724061
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
butyl 6-phenyl-2-azaspiro[3.4]octane-2-carboxylate
CID 175842476
1-cyclopropyl-N-ethyl-5-phenylpiperidin-3-amine
CID 83990517

Frequently Asked Questions

What is the IUPAC name of (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride?
The IUPAC name of (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride (CID 20533457) is (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride.
What is the SMILES notation for (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride?
The canonical SMILES for (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride is CCCCC1(OC(C)=O)CCN2CC(c3ccccc3)CCC2C1.Cl.
What is the InChIKey of (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride?
The InChIKey is LZLBXRGFFCZFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2.ClH/c1-3-4-12-21(24-17(2)23)13-14-22-16-19(10-11-20(22)15-21)18-8-6-5-7-9-18;/h5-9,19-20H,3-4,10-16H2,1-2H3;1H.
What are the key properties of (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride?
(2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride has a molecular weight of 365.95 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-7-phenyl-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-yl) acetate;hydrochloride is sourced from PubChem (CID 20533457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).