4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

C15H18ClN5O — CID 729166

IUPAC4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccccc2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C15H18ClN5O/c16-11-6-2-3-7-12(11)22-10-13-18-14(17)20-15(19-13)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H2,17,18,19,20)
InChIKeyDGRZEMKXKHZEGP-UHFFFAOYSA-N
MW319.80 g/mol
LogP2.68
Rot. Bonds4

About 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine

4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 729166) has the molecular formula C15H18ClN5O and a molecular weight of 319.80 g/mol. Its IUPAC name is 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
PubChem CID729166
Molecular FormulaC15H18ClN5O
Molecular Weight319.80 g/mol
Exact Mass319.12
IUPAC Name4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(COc2ccccc2Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C15H18ClN5O/c16-11-6-2-3-7-12(11)22-10-13-18-14(17)20-15(19-13)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H2,17,18,19,20)
InChIKeyDGRZEMKXKHZEGP-UHFFFAOYSA-N
XLogP2.68
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.80
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(2,5-Dichlorophenoxy)propyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164618100
4-[(4-Fluorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 729426
4-[1-(2-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155519102
4-(4-Methylpiperazin-1-yl)-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 155531846
4-[(2,4-Dichlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155536152
4-[(3-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155538814
4-[1-(3-Chlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155543653
4-[(2-Chlorophenoxy)methyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 155554036
4-[1-(2,5-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164608896
4-[1-(2,3-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164610188
4-(4-Methylpiperazin-1-yl)-6-(1-phenoxypropyl)-1,3,5-triazin-2-amine
CID 164610456
4-[1-(3,5-Dichlorophenoxy)ethyl]-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 164611003

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine (CID 729166) is 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is Nc1nc(COc2ccccc2Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DGRZEMKXKHZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5O/c16-11-6-2-3-7-12(11)22-10-13-18-14(17)20-15(19-13)21-8-4-1-5-9-21/h2-3,6-7H,1,4-5,8-10H2,(H2,17,18,19,20).
What are the key properties of 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine?
4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 319.80 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenoxy)methyl]-6-piperidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 729166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).