2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol

C16H27N5O3S — CID 1214510

IUPAC2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol
SMILESCN1CCN(S(=O)(=O)c2cccnc2N2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H27N5O3S/c1-18-5-11-21(12-6-18)25(23,24)15-3-2-4-17-16(15)20-9-7-19(8-10-20)13-14-22/h2-4,22H,5-14H2,1H3
InChIKeyLPRPXPRQHDKSRX-UHFFFAOYSA-N
MW369.49 g/mol
LogP-0.87
Rot. Bonds5

About 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol

2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol (PubChem CID 1214510) has the molecular formula C16H27N5O3S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol
PubChem CID1214510
Molecular FormulaC16H27N5O3S
Molecular Weight369.49 g/mol
Exact Mass369.18
IUPAC Name2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol
SMILESCN1CCN(S(=O)(=O)c2cccnc2N2CCN(CCO)CC2)CC1
InChIInChI=1S/C16H27N5O3S/c1-18-5-11-21(12-6-18)25(23,24)15-3-2-4-17-16(15)20-9-7-19(8-10-20)13-14-22/h2-4,22H,5-14H2,1H3
InChIKeyLPRPXPRQHDKSRX-UHFFFAOYSA-N
XLogP-0.87
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol (CID 1214510) is 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol is CN1CCN(S(=O)(=O)c2cccnc2N2CCN(CCO)CC2)CC1.
What is the InChIKey of 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol?
The InChIKey is LPRPXPRQHDKSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3S/c1-18-5-11-21(12-6-18)25(23,24)15-3-2-4-17-16(15)20-9-7-19(8-10-20)13-14-22/h2-4,22H,5-14H2,1H3.
What are the key properties of 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol?
2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol has a molecular weight of 369.49 g/mol, XLogP of -0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 1214510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).