5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium

C28H44Cl2CuN7O3-2 — CID 6333768

IUPAC5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium
SMILESNC1[N-]C(C2CCCC[N-]2)C=C2C1=CC=CC2Cl.NC1[N-]C(C2CCCC[N-]2)CC2C(Cl)CCCC12.O=[N+](O)O.[Cu+]
InChIInChI=1S/C14H24ClN3.C14H18ClN3.Cu.H2NO3/c2*15-11-5-3-4-9-10(11)8-13(18-14(9)16)12-6-1-2-7-17-12;;2-1(3)4/h9-14H,1-8,16H2;3-5,8,11-14H,1-2,6-7,16H2;;(H2,2,3,4)/q2*-2;2*+1
InChIKeyUVNHXTXICDMYBJ-UHFFFAOYSA-N
MW661.16 g/mol
LogP5.89
Rot. Bonds2

About 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium

5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium (PubChem CID 6333768) has the molecular formula C28H44Cl2CuN7O3-2 and a molecular weight of 661.16 g/mol. Its IUPAC name is 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium.

Molecular Properties

Compound Name5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium
PubChem CID6333768
Molecular FormulaC28H44Cl2CuN7O3-2
Molecular Weight661.16 g/mol
Exact Mass659.22
IUPAC Name5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium
SMILESNC1[N-]C(C2CCCC[N-]2)C=C2C1=CC=CC2Cl.NC1[N-]C(C2CCCC[N-]2)CC2C(Cl)CCCC12.O=[N+](O)O.[Cu+]
InChIInChI=1S/C14H24ClN3.C14H18ClN3.Cu.H2NO3/c2*15-11-5-3-4-9-10(11)8-13(18-14(9)16)12-6-1-2-7-17-12;;2-1(3)4/h9-14H,1-8,16H2;3-5,8,11-14H,1-2,6-7,16H2;;(H2,2,3,4)/q2*-2;2*+1
InChIKeyUVNHXTXICDMYBJ-UHFFFAOYSA-N
XLogP5.89
TPSA168.98 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.16
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium 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

2,6-bis(2H-pyridin-1-id-2-yl)-2H-pyridin-1-ide;6-piperidin-1-id-2-yl-3,6-dihydro-2H-pyridin-1-ide;ruthenium(2+)
CID 50909716
magnesium bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ide)
CID 11033935
1-N-(4-bromo-2-nitrophenyl)cyclohexane-1,3-diamine
CID 79458199
N-(2-chlorocyclopentyl)-3-fluorobenzamide
CID 106443839
(1S,4S,4aS,8aS)-4-chloro-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-ol
CID 101163939
benzene;chloroosmium;2-cyclohexylpiperidin-1-ide
CID 11985645
4-[(3-aminocyclohexyl)amino]benzamide
CID 79458720
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
CID 175943327
3-(2-hydroxycyclohexyl)cyclohexa-3,5-diene-1,2-diol
CID 85213242
3-[3-(methylamino)-9-azabicyclo[3.3.1]nonan-9-yl]benzamide
CID 107810377
copper(1+);[6-(hydroxymethyl)piperidin-1-id-2-yl]methanol;[6-(hydroxymethyl)-2H-pyridin-1-id-2-yl]methanol
CID 5247466
1-chloro-2-cyclopentylcycloheptane
CID 63511633

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium?
The IUPAC name of 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium (CID 6333768) is 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium.
What is the SMILES notation for 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium?
The canonical SMILES for 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium is NC1[N-]C(C2CCCC[N-]2)C=C2C1=CC=CC2Cl.NC1[N-]C(C2CCCC[N-]2)CC2C(Cl)CCCC12.O=[N+](O)O.[Cu+].
What is the InChIKey of 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium?
The InChIKey is UVNHXTXICDMYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3.C14H18ClN3.Cu.H2NO3/c2*15-11-5-3-4-9-10(11)8-13(18-14(9)16)12-6-1-2-7-17-12;;2-1(3)4/h9-14H,1-8,16H2;3-5,8,11-14H,1-2,6-7,16H2;;(H2,2,3,4)/q2*-2;2*+1.
What are the key properties of 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium?
5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium has a molecular weight of 661.16 g/mol, XLogP of 5.89, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-piperidin-1-id-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-id-1-amine;5-chloro-3-piperidin-1-id-2-yl-3,5-dihydro-1H-isoquinolin-2-id-1-amine;copper(1+);dihydroxy(oxo)azanium is sourced from PubChem (CID 6333768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).