2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride

C90H119ClN16O5 — CID 157100680

IUPAC2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCN(c2cccc(C(=O)O)n2)CC1.Cc1ccccc1C1CCCCN1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCN(C)CC2)n1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCNCC2)n1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCNCC2)n1.Cl
InChIInChI=1S/C23H30N4O.2C22H28N4O.C12H17N.C11H15N3O2.ClH/c1-18-8-3-4-9-19(18)21-11-5-6-13-27(21)23(28)20-10-7-12-22(24-20)26-16-14-25(2)15-17-26;2*1-17-7-2-3-8-18(17)20-10-4-5-14-26(20)22(27)19-9-6-11-21(24-19)25-15-12-23-13-16-25;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;/h3-4,7-10,12,21H,5-6,11,13-17H2,1-2H3;2*2-3,6-9,11,20,23H,4-5,10,12-16H2,1H3;2-3,6-7,12-13H,4-5,8-9H2,1H3;2-4H,5-8H2,1H3,(H,15,16);1H
InChIKeyRZAWOGBDUPBGNC-UHFFFAOYSA-N
MW1540.50 g/mol
LogP13.61
Rot. Bonds12

About 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride

2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride (PubChem CID 157100680) has the molecular formula C90H119ClN16O5 and a molecular weight of 1540.50 g/mol. Its IUPAC name is 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
PubChem CID157100680
Molecular FormulaC90H119ClN16O5
Molecular Weight1540.50 g/mol
Exact Mass1538.92
IUPAC Name2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride
SMILESCN1CCN(c2cccc(C(=O)O)n2)CC1.Cc1ccccc1C1CCCCN1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCN(C)CC2)n1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCNCC2)n1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCNCC2)n1.Cl
InChIInChI=1S/C23H30N4O.2C22H28N4O.C12H17N.C11H15N3O2.ClH/c1-18-8-3-4-9-19(18)21-11-5-6-13-27(21)23(28)20-10-7-12-22(24-20)26-16-14-25(2)15-17-26;2*1-17-7-2-3-8-18(17)20-10-4-5-14-26(20)22(27)19-9-6-11-21(24-19)25-15-12-23-13-16-25;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;/h3-4,7-10,12,21H,5-6,11,13-17H2,1-2H3;2*2-3,6-9,11,20,23H,4-5,10,12-16H2,1H3;2-3,6-7,12-13H,4-5,8-9H2,1H3;2-4H,5-8H2,1H3,(H,15,16);1H
InChIKeyRZAWOGBDUPBGNC-UHFFFAOYSA-N
XLogP13.61
TPSA205.32 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001540.50
LogP ≤ 513.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Analyze 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride with MolForge

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Related Compounds

6-(4-Phenanthridin-6-ylpiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 129906552
6-[[1-(Dimethylamino)-1-(2-methylphenyl)propan-2-yl]amino]pyridine-2-carboxylic acid
CID 122057437
6-[3-(3-fluorophenyl)-4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 24883137
6-[3-(2-fluorophenyl)-4-[[[(1R)-1-naphthalen-1-ylethyl]amino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 24883171
6-[3-(2-Fluorophenyl)-4-[(1-naphthalen-1-ylethylamino)methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 68903980
3-Tert-butyl-6-(3,5-dimethylpiperidin-1-yl)-2-methylpyridine;5-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)-4-methylpyridine;2-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pyridine;bis(5-tert-butyl-2-(3,5-dimethylpiperidin-1-yl)pyridine);3-tert-butyl-6-(3,5-dimethylpiperidin-1-yl)pyridine-2-carboxylic acid;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-3,3-difluorobutan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2,2-difluoropropan-1-one;1-[4-(5-tert-butyl-2-pyridinyl)-2,6-dimethylpiperazin-1-yl]-2-fluoropropan-1-one
CID 158265440
N,N-dimethyl-4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxamide;N-methylmethanamine;4-[2-methyl-5-[[(3S)-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carbonyl]amino]phenyl]-6-morpholin-4-ylpyridine-2-carboxylic acid;hydrochloride
CID 167573034
Methanol;methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate
CID 139042833
Methyl 6-[[6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;dihydrate
CID 139123612
22-H2O.cif
CID 139123616
Tris(4-(6-amino-3-pyridinyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);samarium
CID 139213301
Tris(4-(6-amino-3-pyridinyl)-6-(ethylcarbamoyl)pyridine-2-carboxylic acid);europium
CID 139213316

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The IUPAC name of 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride (CID 157100680) is 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride is CN1CCN(c2cccc(C(=O)O)n2)CC1.Cc1ccccc1C1CCCCN1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCN(C)CC2)n1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCNCC2)n1.Cc1ccccc1C1CCCCN1C(=O)c1cccc(N2CCNCC2)n1.Cl.
What is the InChIKey of 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
The InChIKey is RZAWOGBDUPBGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O.2C22H28N4O.C12H17N.C11H15N3O2.ClH/c1-18-8-3-4-9-19(18)21-11-5-6-13-27(21)23(28)20-10-7-12-22(24-20)26-16-14-25(2)15-17-26;2*1-17-7-2-3-8-18(17)20-10-4-5-14-26(20)22(27)19-9-6-11-21(24-19)25-15-12-23-13-16-25;1-10-6-2-3-7-11(10)12-8-4-5-9-13-12;1-13-5-7-14(8-6-13)10-4-2-3-9(12-10)11(15)16;/h3-4,7-10,12,21H,5-6,11,13-17H2,1-2H3;2*2-3,6-9,11,20,23H,4-5,10,12-16H2,1H3;2-3,6-7,12-13H,4-5,8-9H2,1H3;2-4H,5-8H2,1H3,(H,15,16);1H.
What are the key properties of 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride?
2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 1540.50 g/mol, XLogP of 13.61, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)piperidine;[2-(2-methylphenyl)piperidin-1-yl]-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone;bis([2-(2-methylphenyl)piperidin-1-yl]-(6-piperazin-1-yl-2-pyridinyl)methanone);6-(4-methylpiperazin-1-yl)pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 157100680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).