(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

C16H22ClN — CID 76964774

IUPAC(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESClc1ccc(C[C@H]2CC[C@H]3CCCCN3C2)cc1
InChIInChI=1S/C16H22ClN/c17-15-7-4-13(5-8-15)11-14-6-9-16-3-1-2-10-18(16)12-14/h4-5,7-8,14,16H,1-3,6,9-12H2/t14-,16-/m1/s1
InChIKeyIQBKPMNLEWNTCN-GDBMZVCRSA-N
MW263.81 g/mol
LogP4.15
Rot. Bonds2

About (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine

(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (PubChem CID 76964774) has the molecular formula C16H22ClN and a molecular weight of 263.81 g/mol. Its IUPAC name is (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.

Molecular Properties

Compound Name(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
PubChem CID76964774
Molecular FormulaC16H22ClN
Molecular Weight263.81 g/mol
Exact Mass263.14
IUPAC Name(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
SMILESClc1ccc(C[C@H]2CC[C@H]3CCCCN3C2)cc1
InChIInChI=1S/C16H22ClN/c17-15-7-4-13(5-8-15)11-14-6-9-16-3-1-2-10-18(16)12-14/h4-5,7-8,14,16H,1-3,6,9-12H2/t14-,16-/m1/s1
InChIKeyIQBKPMNLEWNTCN-GDBMZVCRSA-N
XLogP4.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.81
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine 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

[4-[(1-cyclopentylpyrrolidin-3-yl)methyl]phenyl]methanol
CID 72919703
3-[(4-chlorophenyl)methyl]-1-methylpyrrolidine
CID 70566660
2-[2-(4-chlorophenyl)ethyl]-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79925920
(3S)-2-[(4-chlorophenyl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 110211166
2-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-3-yl)ethanol
CID 19426624
cis-(1R,2S)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentan-1-amine
CID 23587488
(2S,3S)-2-[(4-chlorophenyl)methyl]-1-cyclohexylpiperidin-3-ol
CID 155992534
(3R)-1-[1-(4-chlorophenyl)piperidin-4-yl]pyrrolidin-3-amine
CID 126445475
1-[(4-chlorophenyl)methyl]-4-cycloheptylpiperazine;oxalic acid
CID 17366730
3-(4-chlorophenyl)-1-cyclopropylpyrrolidine
CID 171633097
1-[(3-bromocyclopentyl)methyl]-4-chlorobenzene
CID 64506471
1-but-3-ynyl-4-[(4-chlorophenyl)methyl]piperidine
CID 10682872

Frequently Asked Questions

What is the IUPAC name of (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The IUPAC name of (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine (CID 76964774) is (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine.
What is the SMILES notation for (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The canonical SMILES for (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is Clc1ccc(C[C@H]2CC[C@H]3CCCCN3C2)cc1.
What is the InChIKey of (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
The InChIKey is IQBKPMNLEWNTCN-GDBMZVCRSA-N. The full InChI is InChI=1S/C16H22ClN/c17-15-7-4-13(5-8-15)11-14-6-9-16-3-1-2-10-18(16)12-14/h4-5,7-8,14,16H,1-3,6,9-12H2/t14-,16-/m1/s1.
What are the key properties of (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine?
(3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine has a molecular weight of 263.81 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9aR)-3-[(4-chlorophenyl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine is sourced from PubChem (CID 76964774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).