(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol

C9H19NO — CID 10866594

IUPAC(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1CCC[C@@H](C)N1
InChIInChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyDVJHWTLBEYCZJZ-VGMNWLOBSA-N
MW157.26 g/mol
LogP1.29
Rot. Bonds2

About (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol

(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol (PubChem CID 10866594) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
PubChem CID10866594
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol
SMILESC[C@H](O)C[C@@H]1CCC[C@@H](C)N1
InChIInChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1
InChIKeyDVJHWTLBEYCZJZ-VGMNWLOBSA-N
XLogP1.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol?
The IUPAC name of (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol (CID 10866594) is (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol?
The canonical SMILES for (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol is C[C@H](O)C[C@@H]1CCC[C@@H](C)N1.
What is the InChIKey of (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol?
The InChIKey is DVJHWTLBEYCZJZ-VGMNWLOBSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-4-3-5-9(10-7)6-8(2)11/h7-11H,3-6H2,1-2H3/t7-,8+,9+/m1/s1.
What are the key properties of (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol?
(2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol has a molecular weight of 157.26 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S,6R)-6-methylpiperidin-2-yl]propan-2-ol is sourced from PubChem (CID 10866594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).