(2S)-1-piperazin-2-ylpropan-2-ol

C7H16N2O — CID 69210307

IUPAC(2S)-1-piperazin-2-ylpropan-2-ol
SMILESC[C@H](O)CC1CNCCN1
InChIInChI=1S/C7H16N2O/c1-6(10)4-7-5-8-2-3-9-7/h6-10H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyWGFDTIUUNPMEQD-PKPIPKONSA-N
MW144.22 g/mol
LogP-0.68
Rot. Bonds2

About (2S)-1-piperazin-2-ylpropan-2-ol

(2S)-1-piperazin-2-ylpropan-2-ol (PubChem CID 69210307) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is (2S)-1-piperazin-2-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-piperazin-2-ylpropan-2-ol
PubChem CID69210307
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name(2S)-1-piperazin-2-ylpropan-2-ol
SMILESC[C@H](O)CC1CNCCN1
InChIInChI=1S/C7H16N2O/c1-6(10)4-7-5-8-2-3-9-7/h6-10H,2-5H2,1H3/t6-,7?/m0/s1
InChIKeyWGFDTIUUNPMEQD-PKPIPKONSA-N
XLogP-0.68
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-piperazin-2-ylpropan-2-ol?
The IUPAC name of (2S)-1-piperazin-2-ylpropan-2-ol (CID 69210307) is (2S)-1-piperazin-2-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-piperazin-2-ylpropan-2-ol?
The canonical SMILES for (2S)-1-piperazin-2-ylpropan-2-ol is C[C@H](O)CC1CNCCN1.
What is the InChIKey of (2S)-1-piperazin-2-ylpropan-2-ol?
The InChIKey is WGFDTIUUNPMEQD-PKPIPKONSA-N. The full InChI is InChI=1S/C7H16N2O/c1-6(10)4-7-5-8-2-3-9-7/h6-10H,2-5H2,1H3/t6-,7?/m0/s1.
What are the key properties of (2S)-1-piperazin-2-ylpropan-2-ol?
(2S)-1-piperazin-2-ylpropan-2-ol has a molecular weight of 144.22 g/mol, XLogP of -0.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-piperazin-2-ylpropan-2-ol is sourced from PubChem (CID 69210307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).