(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol

C9H19NO — CID 11182752

IUPAC(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CCCCN1C
InChIInChI=1S/C9H19NO/c1-8(11)7-9-5-3-4-6-10(9)2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyJOHKCJPJMSCFBX-BDAKNGLRSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds2

About (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol

(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol (PubChem CID 11182752) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
PubChem CID11182752
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
SMILESC[C@@H](O)C[C@@H]1CCCCN1C
InChIInChI=1S/C9H19NO/c1-8(11)7-9-5-3-4-6-10(9)2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKeyJOHKCJPJMSCFBX-BDAKNGLRSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol (CID 11182752) is (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol is C[C@@H](O)C[C@@H]1CCCCN1C.
What is the InChIKey of (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
The InChIKey is JOHKCJPJMSCFBX-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(11)7-9-5-3-4-6-10(9)2/h8-9,11H,3-7H2,1-2H3/t8-,9+/m1/s1.
What are the key properties of (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
(2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-1-methylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 11182752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).