4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine

C13H22ClN5O — CID 62863161

IUPAC4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCC(OC)CC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-8-6-10(20-3)7-9-19/h10H,4-9H2,1-3H3
InChIKeyUTZZEHMPTNEFSI-UHFFFAOYSA-N
MW299.81 g/mol
LogP1.99
Rot. Bonds5

About 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine

4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62863161) has the molecular formula C13H22ClN5O and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
PubChem CID62863161
Molecular FormulaC13H22ClN5O
Molecular Weight299.81 g/mol
Exact Mass299.15
IUPAC Name4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine
SMILESCCN(CC)c1nc(Cl)nc(N2CCC(OC)CC2)n1
InChIInChI=1S/C13H22ClN5O/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-8-6-10(20-3)7-9-19/h10H,4-9H2,1-3H3
InChIKeyUTZZEHMPTNEFSI-UHFFFAOYSA-N
XLogP1.99
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dichloro-6-(4-methoxypiperidin-1-yl)-1,3,5-triazine
CID 62869567
4-chloro-N,N-diethyl-6-[3-(methoxymethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 64596823
4-chloro-N-(2-ethoxyethyl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 63690083
4-chloro-N,N-diethyl-6-(2-methylmorpholin-4-yl)-1,3,5-triazin-2-amine
CID 55124481
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80783413
4-[4-chloro-6-(3-methoxypyrrolidin-1-yl)-1,3,5-triazin-2-yl]morpholine
CID 103536614
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79378246
4-N,4-N-diethyl-6-(3-methoxypiperidin-1-yl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 102971648
6-(4-methoxypiperidin-1-yl)-4-N,4-N-dimethyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771750
[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]piperidin-2-yl]methanol
CID 62865295
4-chloro-6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N,N-diethyl-1,3,5-triazin-2-amine
CID 64575281
4-chloro-6-(4-methoxy-2-methylpiperidin-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 114221418

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine (CID 62863161) is 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine is CCN(CC)c1nc(Cl)nc(N2CCC(OC)CC2)n1.
What is the InChIKey of 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is UTZZEHMPTNEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5O/c1-4-18(5-2)12-15-11(14)16-13(17-12)19-8-6-10(20-3)7-9-19/h10H,4-9H2,1-3H3.
What are the key properties of 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 299.81 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-diethyl-6-(4-methoxypiperidin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).