N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine

C144H155ClN28O6 — CID 157061064

IUPACN-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
SMILESNc1ccccc1CN1CCCC(Nc2cccc3cnccc23)C1.O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC(Nc2cccc3cnccc23)C1.O=[N+]([O-])c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1.O=[N+]([O-])c1cccc(CN2CCCC(Nc3cccc4cnccc34)C2)c1.c1cc(NC2CCCN(Cc3ccncc3)C2)c2ccncc2c1.c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)nc1.c1cncc(CN2CCCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C21H21ClN4O2.2C21H22N4O2.C21H24N4.3C20H22N4/c22-17-7-6-16(21(11-17)26(27)28)13-25-10-2-4-18(14-25)24-20-5-1-3-15-12-23-9-8-19(15)20;26-25(27)19-7-1-4-16(12-19)14-24-11-3-6-18(15-24)23-21-8-2-5-17-13-22-10-9-20(17)21;26-25(27)19-8-6-16(7-9-19)14-24-12-2-4-18(15-24)23-21-5-1-3-17-13-22-11-10-20(17)21;22-20-8-2-1-5-17(20)14-25-12-4-7-18(15-25)24-21-9-3-6-16-13-23-11-10-19(16)21;1-5-17-13-22-10-8-19(17)20(7-1)23-18-6-3-11-24(15-18)14-16-4-2-9-21-12-16;1-3-17-13-22-11-8-19(17)20(5-1)23-18-4-2-12-24(15-18)14-16-6-9-21-10-7-16;1-2-10-22-17(6-1)14-24-12-4-7-18(15-24)23-20-8-3-5-16-13-21-11-9-19(16)20/h1,3,5-9,11-12,18,24H,2,4,10,13-14H2;1-2,4-5,7-10,12-13,18,23H,3,6,11,14-15H2;1,3,5-11,13,18,23H,2,4,12,14-15H2;1-3,5-6,8-11,13,18,24H,4,7,12,14-15,22H2;1-2,4-5,7-10,12-13,18,23H,3,6,11,14-15H2;1,3,5-11,13,18,23H,2,4,12,14-15H2;1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2
InChIKeyABILLCSUYSLOFO-UHFFFAOYSA-N
MW2409.47 g/mol
LogP28.32
Rot. Bonds31

About N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine

N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine (PubChem CID 157061064) has the molecular formula C144H155ClN28O6 and a molecular weight of 2409.47 g/mol. Its IUPAC name is N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine.

Molecular Properties

Compound NameN-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
PubChem CID157061064
Molecular FormulaC144H155ClN28O6
Molecular Weight2409.47 g/mol
Exact Mass2407.24
IUPAC NameN-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
SMILESNc1ccccc1CN1CCCC(Nc2cccc3cnccc23)C1.O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC(Nc2cccc3cnccc23)C1.O=[N+]([O-])c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1.O=[N+]([O-])c1cccc(CN2CCCC(Nc3cccc4cnccc34)C2)c1.c1cc(NC2CCCN(Cc3ccncc3)C2)c2ccncc2c1.c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)nc1.c1cncc(CN2CCCC(Nc3cccc4cnccc34)C2)c1
InChIInChI=1S/C21H21ClN4O2.2C21H22N4O2.C21H24N4.3C20H22N4/c22-17-7-6-16(21(11-17)26(27)28)13-25-10-2-4-18(14-25)24-20-5-1-3-15-12-23-9-8-19(15)20;26-25(27)19-7-1-4-16(12-19)14-24-11-3-6-18(15-24)23-21-8-2-5-17-13-22-10-9-20(17)21;26-25(27)19-8-6-16(7-9-19)14-24-12-2-4-18(15-24)23-21-5-1-3-17-13-22-11-10-20(17)21;22-20-8-2-1-5-17(20)14-25-12-4-7-18(15-25)24-21-9-3-6-16-13-23-11-10-19(16)21;1-5-17-13-22-10-8-19(17)20(7-1)23-18-6-3-11-24(15-18)14-16-4-2-9-21-12-16;1-3-17-13-22-11-8-19(17)20(5-1)23-18-4-2-12-24(15-18)14-16-6-9-21-10-7-16;1-2-10-22-17(6-1)14-24-12-4-7-18(15-24)23-20-8-3-5-16-13-21-11-9-19(16)20/h1,3,5-9,11-12,18,24H,2,4,10,13-14H2;1-2,4-5,7-10,12-13,18,23H,3,6,11,14-15H2;1,3,5-11,13,18,23H,2,4,12,14-15H2;1-3,5-6,8-11,13,18,24H,4,7,12,14-15,22H2;1-2,4-5,7-10,12-13,18,23H,3,6,11,14-15H2;1,3,5-11,13,18,23H,2,4,12,14-15H2;1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2
InChIKeyABILLCSUYSLOFO-UHFFFAOYSA-N
XLogP28.32
TPSA391.23 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds31
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.47
LogP ≤ 528.32
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

[3-(4-{3-[Bis-(4-nitro-benzyl)-amino]-propyl}-piperazin-1-yl)-propyl]-(7-chloro-quinolin-4-yl)-amine
CID 10875927
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-piperidin-1-ylacetamide
CID 10886699
(7-Chloro-quinolin-4-yl)-(3-{4-[3-(4-nitro-benzylamino)-propyl]-piperazin-1-yl}-propyl)-amine
CID 10973098
N-(3-(4-(3-(bis(quinolin-4-ylmethyl)amino)propyl)piperazin-1-yl)propyl)-7-chloroquinolin-4-amine
CID 10985114
7-chloro-N-[2-[4-[7-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]heptyl]piperazin-1-yl]ethyl]quinolin-4-amine
CID 3395106
7-chloro-N-[3-[4-(5-methyl-2-nitro-phenyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 52942549
7-chloro-N-[2-[4-(5-methyl-2-nitro-phenyl)piperazin-1-yl]ethyl]quinolin-4-amine
CID 52950145
7-chloro-N-[2-[4-[3-[4-[2-[(7-chloroquinolin-4-yl)amino]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]ethyl]quinolin-4-amine
CID 3395105
N-[1-[(4-chloro-2-nitrophenyl)methyl]pyrrolidin-3-yl]isoquinolin-5-amine
CID 9999990
N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine
CID 10318608
N-[3-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 58476730
N-[2-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]ethyl]-7-chloroquinolin-4-amine
CID 58476735

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
The IUPAC name of N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine (CID 157061064) is N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine.
What is the SMILES notation for N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
The canonical SMILES for N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine is Nc1ccccc1CN1CCCC(Nc2cccc3cnccc23)C1.O=[N+]([O-])c1cc(Cl)ccc1CN1CCCC(Nc2cccc3cnccc23)C1.O=[N+]([O-])c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)cc1.O=[N+]([O-])c1cccc(CN2CCCC(Nc3cccc4cnccc34)C2)c1.c1cc(NC2CCCN(Cc3ccncc3)C2)c2ccncc2c1.c1ccc(CN2CCCC(Nc3cccc4cnccc34)C2)nc1.c1cncc(CN2CCCC(Nc3cccc4cnccc34)C2)c1.
What is the InChIKey of N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
The InChIKey is ABILLCSUYSLOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2.2C21H22N4O2.C21H24N4.3C20H22N4/c22-17-7-6-16(21(11-17)26(27)28)13-25-10-2-4-18(14-25)24-20-5-1-3-15-12-23-9-8-19(15)20;26-25(27)19-7-1-4-16(12-19)14-24-11-3-6-18(15-24)23-21-8-2-5-17-13-22-10-9-20(17)21;26-25(27)19-8-6-16(7-9-19)14-24-12-2-4-18(15-24)23-21-5-1-3-17-13-22-11-10-20(17)21;22-20-8-2-1-5-17(20)14-25-12-4-7-18(15-25)24-21-9-3-6-16-13-23-11-10-19(16)21;1-5-17-13-22-10-8-19(17)20(7-1)23-18-6-3-11-24(15-18)14-16-4-2-9-21-12-16;1-3-17-13-22-11-8-19(17)20(5-1)23-18-4-2-12-24(15-18)14-16-6-9-21-10-7-16;1-2-10-22-17(6-1)14-24-12-4-7-18(15-24)23-20-8-3-5-16-13-21-11-9-19(16)20/h1,3,5-9,11-12,18,24H,2,4,10,13-14H2;1-2,4-5,7-10,12-13,18,23H,3,6,11,14-15H2;1,3,5-11,13,18,23H,2,4,12,14-15H2;1-3,5-6,8-11,13,18,24H,4,7,12,14-15,22H2;1-2,4-5,7-10,12-13,18,23H,3,6,11,14-15H2;1,3,5-11,13,18,23H,2,4,12,14-15H2;1-3,5-6,8-11,13,18,23H,4,7,12,14-15H2.
What are the key properties of N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine?
N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine has a molecular weight of 2409.47 g/mol, XLogP of 28.32, 31 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine is sourced from PubChem (CID 157061064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).