(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol

C9H17NO — CID 118074672

IUPAC(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol
SMILESC/C=C\[C@H]1N[C@@H](O)CC[C@H]1C
InChIInChI=1S/C9H17NO/c1-3-4-8-7(2)5-6-9(11)10-8/h3-4,7-11H,5-6H2,1-2H3/b4-3-/t7-,8-,9+/m1/s1
InChIKeyVQQYGIXXZZTYKN-CJDRWTNCSA-N
MW155.24 g/mol
LogP1.27
Rot. Bonds1

About (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol

(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol (PubChem CID 118074672) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol.

Molecular Properties

Compound Name(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol
PubChem CID118074672
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol
SMILESC/C=C\[C@H]1N[C@@H](O)CC[C@H]1C
InChIInChI=1S/C9H17NO/c1-3-4-8-7(2)5-6-9(11)10-8/h3-4,7-11H,5-6H2,1-2H3/b4-3-/t7-,8-,9+/m1/s1
InChIKeyVQQYGIXXZZTYKN-CJDRWTNCSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol?
The IUPAC name of (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol (CID 118074672) is (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol.
What is the SMILES notation for (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol?
The canonical SMILES for (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol is C/C=C\[C@H]1N[C@@H](O)CC[C@H]1C.
What is the InChIKey of (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol?
The InChIKey is VQQYGIXXZZTYKN-CJDRWTNCSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8-7(2)5-6-9(11)10-8/h3-4,7-11H,5-6H2,1-2H3/b4-3-/t7-,8-,9+/m1/s1.
What are the key properties of (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol?
(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol has a molecular weight of 155.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol is sourced from PubChem (CID 118074672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).