(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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Related Compounds

2-(2-ethylbutyl)-6-methylpiperidine
CID 106781072
[(2R,6R)-6-methylpiperidin-2-yl]methanol
CID 10820546
2-(6-methylpiperidin-2-yl)-1-[4-(2-methylpropyl)phenyl]ethanol
CID 116685555
(2S,6R)-2-methyl-6-(3-methylbutyl)piperidine;hydrochloride
CID 67499147
2-(6-methylpiperidin-2-yl)-1-thiophen-2-ylethanol
CID 116685593
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
(2S,6S)-2-methyl-6-(4-methylpentyl)piperidine
CID 67498965
1-(1-benzofuran-2-yl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685567
1-(3-chlorophenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685542
N-[(6-methylpiperidin-2-yl)methyl]butan-2-amine
CID 54855686
2-(2-cyclopropylethyl)-6-methylpiperidine
CID 106779887

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).