2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine

C16H27N5O2S — CID 70703711

IUPAC2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C16H27N5O2S/c1-2-14-24(22,23)21-12-10-19(11-13-21)15-6-7-17-16(18-15)20-8-4-3-5-9-20/h6-7H,2-5,8-14H2,1H3
InChIKeyLBYMOVBPPWXENF-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.33
Rot. Bonds5

About 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine

2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine (PubChem CID 70703711) has the molecular formula C16H27N5O2S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
PubChem CID70703711
Molecular FormulaC16H27N5O2S
Molecular Weight353.49 g/mol
Exact Mass353.19
IUPAC Name2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine
SMILESCCCS(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1
InChIInChI=1S/C16H27N5O2S/c1-2-14-24(22,23)21-12-10-19(11-13-21)15-6-7-17-16(18-15)20-8-4-3-5-9-20/h6-7H,2-5,8-14H2,1H3
InChIKeyLBYMOVBPPWXENF-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The IUPAC name of 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine (CID 70703711) is 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine is CCCS(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1.
What is the InChIKey of 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
The InChIKey is LBYMOVBPPWXENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2S/c1-2-14-24(22,23)21-12-10-19(11-13-21)15-6-7-17-16(18-15)20-8-4-3-5-9-20/h6-7H,2-5,8-14H2,1H3.
What are the key properties of 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine?
2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine has a molecular weight of 353.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-4-(4-propylsulfonylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 70703711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).