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

C9H19NO — CID 10057764

IUPAC2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
SMILESCN1CCCC[C@H]1C(C)(C)O
InChIInChI=1S/C9H19NO/c1-9(2,11)8-6-4-5-7-10(8)3/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyPRQUQLLKNBALCZ-QMMMGPOBSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds1

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

2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol (PubChem CID 10057764) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
PubChem CID10057764
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
SMILESCN1CCCC[C@H]1C(C)(C)O
InChIInChI=1S/C9H19NO/c1-9(2,11)8-6-4-5-7-10(8)3/h8,11H,4-7H2,1-3H3/t8-/m0/s1
InChIKeyPRQUQLLKNBALCZ-QMMMGPOBSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
The IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol (CID 10057764) is 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol is CN1CCCC[C@H]1C(C)(C)O.
What is the InChIKey of 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
The InChIKey is PRQUQLLKNBALCZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,11)8-6-4-5-7-10(8)3/h8,11H,4-7H2,1-3H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol?
2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 10057764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).