1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine

C14H24ClN5O — CID 62863254

IUPAC1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCC(C)Oc1nc(Cl)nc(N2CCC(CN(C)C)CC2)n1
InChIInChI=1S/C14H24ClN5O/c1-10(2)21-14-17-12(15)16-13(18-14)20-7-5-11(6-8-20)9-19(3)4/h10-11H,5-9H2,1-4H3
InChIKeyOLZZCNQKHCQVHL-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.09
Rot. Bonds5

About 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 62863254) has the molecular formula C14H24ClN5O and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID62863254
Molecular FormulaC14H24ClN5O
Molecular Weight313.83 g/mol
Exact Mass313.17
IUPAC Name1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCC(C)Oc1nc(Cl)nc(N2CCC(CN(C)C)CC2)n1
InChIInChI=1S/C14H24ClN5O/c1-10(2)21-14-17-12(15)16-13(18-14)20-7-5-11(6-8-20)9-19(3)4/h10-11H,5-9H2,1-4H3
InChIKeyOLZZCNQKHCQVHL-UHFFFAOYSA-N
XLogP2.09
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine with MolForge

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Related Compounds

4-[4-[(dimethylamino)methyl]piperidin-1-yl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80784975
2-chloro-4-(4-cyclopropylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62862691
2-chloro-4-(4-ethylpiperazin-1-yl)-6-propan-2-yloxy-1,3,5-triazine
CID 62869517
1-[1-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)piperidin-4-yl]ethanamine
CID 63595725
4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64520815
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103357380
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65319615
7-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79094680
4-chloro-N-[(1-ethylpiperidin-4-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865015
4-chloro-N-(cyclopropylmethyl)-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62864587
1-[1-(4-chloro-6-propoxy-1,3,5-triazin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627067
4-(4-ethoxypiperidin-1-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80798570

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 62863254) is 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine is CC(C)Oc1nc(Cl)nc(N2CCC(CN(C)C)CC2)n1.
What is the InChIKey of 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is OLZZCNQKHCQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN5O/c1-10(2)21-14-17-12(15)16-13(18-14)20-7-5-11(6-8-20)9-19(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 313.83 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 62863254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).