(2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol

C10H22N2O2 — CID 829709

IUPAC(2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCNCC1
InChIInChI=1S/C10H22N2O2/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12/h9-11,13H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWOTIBMPUIACMOE-JTQLQIEISA-N
MW202.30 g/mol
LogP-0.32
Rot. Bonds5

About (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol

(2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol (PubChem CID 829709) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol
PubChem CID829709
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CN1CCNCC1
InChIInChI=1S/C10H22N2O2/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12/h9-11,13H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyWOTIBMPUIACMOE-JTQLQIEISA-N
XLogP-0.32
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol (CID 829709) is (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CN1CCNCC1.
What is the InChIKey of (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol?
The InChIKey is WOTIBMPUIACMOE-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2)14-8-10(13)7-12-5-3-11-4-6-12/h9-11,13H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol?
(2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol has a molecular weight of 202.30 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperazin-1-yl-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 829709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).