(2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine

C32H38N6 — CID 132558431

IUPAC(2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine
SMILESCCc1ccc([C@H]2N[C@@H](c3ccc(CC)cn3)[C@H](c3ccc(CC)cn3)N[C@@H]2c2ccc(CC)cn2)nc1
InChIInChI=1S/C32H38N6/c1-5-21-9-13-25(33-17-21)29-30(26-14-10-22(6-2)18-34-26)38-32(28-16-12-24(8-4)20-36-28)31(37-29)27-15-11-23(7-3)19-35-27/h9-20,29-32,37-38H,5-8H2,1-4H3/t29-,30-,31+,32+
InChIKeyDQSIZTZHVPVUGB-TZLSHIEUSA-N
MW506.70 g/mol
LogP5.97
Rot. Bonds8

About (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine

(2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine (PubChem CID 132558431) has the molecular formula C32H38N6 and a molecular weight of 506.70 g/mol. Its IUPAC name is (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name(2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine
PubChem CID132558431
Molecular FormulaC32H38N6
Molecular Weight506.70 g/mol
Exact Mass506.32
IUPAC Name(2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine
SMILESCCc1ccc([C@H]2N[C@@H](c3ccc(CC)cn3)[C@H](c3ccc(CC)cn3)N[C@@H]2c2ccc(CC)cn2)nc1
InChIInChI=1S/C32H38N6/c1-5-21-9-13-25(33-17-21)29-30(26-14-10-22(6-2)18-34-26)38-32(28-16-12-24(8-4)20-36-28)31(37-29)27-15-11-23(7-3)19-35-27/h9-20,29-32,37-38H,5-8H2,1-4H3/t29-,30-,31+,32+
InChIKeyDQSIZTZHVPVUGB-TZLSHIEUSA-N
XLogP5.97
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine?
The IUPAC name of (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine (CID 132558431) is (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine.
What is the SMILES notation for (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine?
The canonical SMILES for (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine is CCc1ccc([C@H]2N[C@@H](c3ccc(CC)cn3)[C@H](c3ccc(CC)cn3)N[C@@H]2c2ccc(CC)cn2)nc1.
What is the InChIKey of (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine?
The InChIKey is DQSIZTZHVPVUGB-TZLSHIEUSA-N. The full InChI is InChI=1S/C32H38N6/c1-5-21-9-13-25(33-17-21)29-30(26-14-10-22(6-2)18-34-26)38-32(28-16-12-24(8-4)20-36-28)31(37-29)27-15-11-23(7-3)19-35-27/h9-20,29-32,37-38H,5-8H2,1-4H3/t29-,30-,31+,32+.
What are the key properties of (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine?
(2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine has a molecular weight of 506.70 g/mol, XLogP of 5.97, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S,6S)-2,3,5,6-tetrakis(5-ethyl-2-pyridinyl)piperazine is sourced from PubChem (CID 132558431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).