N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine

C21H21Cl2N3 — CID 59290812

IUPACN-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
SMILESClc1cc(Cl)cc(CN2CCC[C@@H](Nc3ccc4cnccc4c3)C2)c1
InChIInChI=1S/C21H21Cl2N3/c22-18-8-15(9-19(23)11-18)13-26-7-1-2-21(14-26)25-20-4-3-17-12-24-6-5-16(17)10-20/h3-6,8-12,21,25H,1-2,7,13-14H2/t21-/m1/s1
InChIKeyIDMAJNPBRRUWLN-OAQYLSRUSA-N
MW386.33 g/mol
LogP5.62
Rot. Bonds4

About N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine

N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine (PubChem CID 59290812) has the molecular formula C21H21Cl2N3 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine.

Molecular Properties

Compound NameN-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
PubChem CID59290812
Molecular FormulaC21H21Cl2N3
Molecular Weight386.33 g/mol
Exact Mass385.11
IUPAC NameN-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
SMILESClc1cc(Cl)cc(CN2CCC[C@@H](Nc3ccc4cnccc4c3)C2)c1
InChIInChI=1S/C21H21Cl2N3/c22-18-8-15(9-19(23)11-18)13-26-7-1-2-21(14-26)25-20-4-3-17-12-24-6-5-16(17)10-20/h3-6,8-12,21,25H,1-2,7,13-14H2/t21-/m1/s1
InChIKeyIDMAJNPBRRUWLN-OAQYLSRUSA-N
XLogP5.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.33
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine with MolForge

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine
CID 68593122
N-[1-[(4-chlorophenyl)methyl]azetidin-3-yl]isoquinolin-6-amine
CID 59290841
N-[(3R)-1-[[(2R)-pyrrolidin-2-yl]methyl]piperidin-3-yl]isoquinolin-6-amine;hydrochloride
CID 161211236
6-[[1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]amino]-2H-isoquinolin-1-one
CID 68593607
N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]isoquinolin-6-amine
CID 59290831
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44599070
N-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]isoquinolin-6-amine
CID 59290603
N'-[2-chloro-5-[[(3R)-3-(isoquinolin-6-ylamino)pyrrolidin-1-yl]methyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 68593513
N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]isoquinolin-6-amine;hydrochloride
CID 24967850
N'-[2-chloro-5-[[(3R)-3-(isoquinolin-6-ylamino)pyrrolidin-1-yl]methyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide;methane;hydrochloride
CID 161485084
N-(1-propylazetidin-3-yl)isoquinolin-6-amine
CID 59290573
N-[1-[(4-chlorophenyl)methyl]-2-iodopiperidin-3-yl]isoquinolin-6-amine
CID 68809192

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine?
The IUPAC name of N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine (CID 59290812) is N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine.
What is the SMILES notation for N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine?
The canonical SMILES for N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine is Clc1cc(Cl)cc(CN2CCC[C@@H](Nc3ccc4cnccc4c3)C2)c1.
What is the InChIKey of N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine?
The InChIKey is IDMAJNPBRRUWLN-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21Cl2N3/c22-18-8-15(9-19(23)11-18)13-26-7-1-2-21(14-26)25-20-4-3-17-12-24-6-5-16(17)10-20/h3-6,8-12,21,25H,1-2,7,13-14H2/t21-/m1/s1.
What are the key properties of N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine?
N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine has a molecular weight of 386.33 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3,5-dichlorophenyl)methyl]piperidin-3-yl]isoquinolin-6-amine is sourced from PubChem (CID 59290812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).