(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol

C18H32N6O2 — CID 136583777

IUPAC(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2cnc(N3CCN(C[C@H](C)O)CC3)cn2)CC1
InChIInChI=1S/C18H32N6O2/c1-15(25)13-21-3-7-23(8-4-21)17-11-20-18(12-19-17)24-9-5-22(6-10-24)14-16(2)26/h11-12,15-16,25-26H,3-10,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyBLFANYURJHAXTI-HOTGVXAUSA-N
MW364.49 g/mol
LogP-0.52
Rot. Bonds6

About (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol

(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol (PubChem CID 136583777) has the molecular formula C18H32N6O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
PubChem CID136583777
Molecular FormulaC18H32N6O2
Molecular Weight364.49 g/mol
Exact Mass364.26
IUPAC Name(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol
SMILESC[C@H](O)CN1CCN(c2cnc(N3CCN(C[C@H](C)O)CC3)cn2)CC1
InChIInChI=1S/C18H32N6O2/c1-15(25)13-21-3-7-23(8-4-21)17-11-20-18(12-19-17)24-9-5-22(6-10-24)14-16(2)26/h11-12,15-16,25-26H,3-10,13-14H2,1-2H3/t15-,16-/m0/s1
InChIKeyBLFANYURJHAXTI-HOTGVXAUSA-N
XLogP-0.52
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol (CID 136583777) is (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol is C[C@H](O)CN1CCN(c2cnc(N3CCN(C[C@H](C)O)CC3)cn2)CC1.
What is the InChIKey of (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol?
The InChIKey is BLFANYURJHAXTI-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H32N6O2/c1-15(25)13-21-3-7-23(8-4-21)17-11-20-18(12-19-17)24-9-5-22(6-10-24)14-16(2)26/h11-12,15-16,25-26H,3-10,13-14H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol?
(2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol has a molecular weight of 364.49 g/mol, XLogP of -0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[5-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]pyrazin-2-yl]piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 136583777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).