2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

C15H24ClN5 — CID 63162336

IUPAC2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCC1(C)CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H24ClN5/c1-3-15(2)6-10-21(11-7-15)14-18-12(16)17-13(19-14)20-8-4-5-9-20/h3-11H2,1-2H3
InChIKeyTYVBSSMGHAOIBS-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.14
Rot. Bonds3

About 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine

2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (PubChem CID 63162336) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
PubChem CID63162336
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine
SMILESCCC1(C)CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1
InChIInChI=1S/C15H24ClN5/c1-3-15(2)6-10-21(11-7-15)14-18-12(16)17-13(19-14)20-8-4-5-9-20/h3-11H2,1-2H3
InChIKeyTYVBSSMGHAOIBS-UHFFFAOYSA-N
XLogP3.14
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine (CID 63162336) is 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is CCC1(C)CCN(c2nc(Cl)nc(N3CCCC3)n2)CC1.
What is the InChIKey of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
The InChIKey is TYVBSSMGHAOIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c1-3-15(2)6-10-21(11-7-15)14-18-12(16)17-13(19-14)20-8-4-5-9-20/h3-11H2,1-2H3.
What are the key properties of 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine?
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine has a molecular weight of 309.85 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)-6-pyrrolidin-1-yl-1,3,5-triazine is sourced from PubChem (CID 63162336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).