(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol

C9H17NO — CID 11708092

IUPAC(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@H]1CN[C@@H](C)C[C@H]1O
InChIInChI=1S/C9H17NO/c1-6(2)8-5-10-7(3)4-9(8)11/h7-11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1
InChIKeyGMQNYUJMVQHEBT-DJLDLDEBSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds1

About (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol

(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol (PubChem CID 11708092) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
PubChem CID11708092
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@H]1CN[C@@H](C)C[C@H]1O
InChIInChI=1S/C9H17NO/c1-6(2)8-5-10-7(3)4-9(8)11/h7-11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1
InChIKeyGMQNYUJMVQHEBT-DJLDLDEBSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-Prop-2-enylpiperidin-4-ol
CID 55300262
2,3,6-Trimethylpiperidin-4-ol
CID 57176858
2-Methyl-1-piperidin-3-ylprop-2-en-1-ol
CID 80559018
1-Piperidin-3-ylbut-3-en-1-ol
CID 80560183
3-But-3-enylpiperidin-4-ol
CID 114451881
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473
1-Ethyl-2-methyl-5-(2-methylprop-2-enyl)piperidin-4-ol
CID 123603830
(3S)-2,3-bis(ethenyl)-6-methylpiperidin-4-ol
CID 141979418
1-(Ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene
CID 145466255
2,5-Bis(prop-2-enyl)piperidin-4-ol
CID 156496586
[(2R)-2-methyl-4-(2-methylprop-2-enyl)piperidin-4-yl]methanol
CID 156519126

Frequently Asked Questions

What is the IUPAC name of (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol?
The IUPAC name of (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol (CID 11708092) is (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol.
What is the SMILES notation for (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol?
The canonical SMILES for (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol is C=C(C)[C@H]1CN[C@@H](C)C[C@H]1O.
What is the InChIKey of (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol?
The InChIKey is GMQNYUJMVQHEBT-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H17NO/c1-6(2)8-5-10-7(3)4-9(8)11/h7-11H,1,4-5H2,2-3H3/t7-,8+,9+/m0/s1.
What are the key properties of (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol?
(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 11708092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).