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

C11H21NO — CID 11579233

IUPAC(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@H]1CN[C@@H](C(C)C)C[C@@H]1O
InChIInChI=1S/C11H21NO/c1-7(2)9-6-12-10(8(3)4)5-11(9)13/h8-13H,1,5-6H2,2-4H3/t9-,10-,11+/m1/s1
InChIKeyAZOPZTPLHMTYSG-MXWKQRLJSA-N
MW183.29 g/mol
LogP1.56
Rot. Bonds2

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

(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol (PubChem CID 11579233) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
PubChem CID11579233
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@H]1CN[C@@H](C(C)C)C[C@@H]1O
InChIInChI=1S/C11H21NO/c1-7(2)9-6-12-10(8(3)4)5-11(9)13/h8-13H,1,5-6H2,2-4H3/t9-,10-,11+/m1/s1
InChIKeyAZOPZTPLHMTYSG-MXWKQRLJSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.56
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-Fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
CID 175499380
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
2-Amino-3,6,7-trimethyloct-7-en-4-ol
CID 123474935
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
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
4-Piperidin-4-ylpent-4-en-2-ol
CID 169595340
1-(7-Pyrrolidin-3-yloct-7-en-4-yl)piperidin-4-ol
CID 176691659
(3R,4S)-3-(cyclohepten-1-yl)piperidin-4-ol
CID 11499375

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol?
The IUPAC name of (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol (CID 11579233) is (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol.
What is the SMILES notation for (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol?
The canonical SMILES for (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol is C=C(C)[C@H]1CN[C@@H](C(C)C)C[C@@H]1O.
What is the InChIKey of (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol?
The InChIKey is AZOPZTPLHMTYSG-MXWKQRLJSA-N. The full InChI is InChI=1S/C11H21NO/c1-7(2)9-6-12-10(8(3)4)5-11(9)13/h8-13H,1,5-6H2,2-4H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol?
(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 11579233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).