N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

C22H28ClN7 — CID 2844286

IUPACN-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESClc1ccccc1C=CC=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H28ClN7/c23-19-12-4-3-10-18(19)11-9-13-24-28-20-25-21(29-14-5-1-6-15-29)27-22(26-20)30-16-7-2-8-17-30/h3-4,9-13H,1-2,5-8,14-17H2,(H,25,26,27,28)
InChIKeyWHBPKKYZXJNKAR-UHFFFAOYSA-N
MW425.97 g/mol
LogP4.62
Rot. Bonds6

About N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine

N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 2844286) has the molecular formula C22H28ClN7 and a molecular weight of 425.97 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID2844286
Molecular FormulaC22H28ClN7
Molecular Weight425.97 g/mol
Exact Mass425.21
IUPAC NameN-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
SMILESClc1ccccc1C=CC=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1
InChIInChI=1S/C22H28ClN7/c23-19-12-4-3-10-18(19)11-9-13-24-28-20-25-21(29-14-5-1-6-15-29)27-22(26-20)30-16-7-2-8-17-30/h3-4,9-13H,1-2,5-8,14-17H2,(H,25,26,27,28)
InChIKeyWHBPKKYZXJNKAR-UHFFFAOYSA-N
XLogP4.62
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.97
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[4-(dimethylamino)phenyl]prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3888608
N-[3-(3-nitrophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 3097051
2-[(E)-[[4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 169487947
N-[[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 4158039
N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 46495826
N-[(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3938710
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 3801168
2-N-[(4-chlorophenyl)methylideneamino]-4-N-phenyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 3135105
N-[(2-chlorophenyl)methylideneamino]-2,6-di(piperidin-1-yl)pyrimidin-4-amine
CID 2849982
4,6-di(piperidin-1-yl)-N-(pyridin-3-ylmethylideneamino)-1,3,5-triazin-2-amine
CID 3092737
N-[(E)-[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
CID 5340932
4-N-(4-fluorophenyl)-2-N-[(2-fluorophenyl)methylideneamino]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 2852361

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine (CID 2844286) is N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is Clc1ccccc1C=CC=NNc1nc(N2CCCCC2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is WHBPKKYZXJNKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN7/c23-19-12-4-3-10-18(19)11-9-13-24-28-20-25-21(29-14-5-1-6-15-29)27-22(26-20)30-16-7-2-8-17-30/h3-4,9-13H,1-2,5-8,14-17H2,(H,25,26,27,28).
What are the key properties of N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine?
N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 425.97 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)prop-2-enylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 2844286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).