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

C12H23NO — CID 11550177

IUPAC(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@H]1CN[C@@H](C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C12H23NO/c1-8(2)9-7-13-11(6-10(9)14)12(3,4)5/h9-11,13-14H,1,6-7H2,2-5H3/t9-,10+,11-/m1/s1
InChIKeyRECLRVYECDFKKO-OUAUKWLOSA-N
MW197.32 g/mol
LogP1.95
Rot. Bonds1

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

(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol (PubChem CID 11550177) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol
PubChem CID11550177
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@H]1CN[C@@H](C(C)(C)C)C[C@@H]1O
InChIInChI=1S/C12H23NO/c1-8(2)9-7-13-11(6-10(9)14)12(3,4)5/h9-11,13-14H,1,6-7H2,2-5H3/t9-,10+,11-/m1/s1
InChIKeyRECLRVYECDFKKO-OUAUKWLOSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol with MolForge

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Related Compounds

3-Fluoro-3-hepta-1,2-dien-3-ylpiperidin-4-ol
CID 175499380
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
2-[1-(Butylamino)-3-methylbutyl]-5,5-dimethyl-3-methylidenecyclohexan-1-ol
CID 167112833
4-Piperidin-4-ylpent-4-en-2-ol
CID 169595340
(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol
CID 11564486
(2R,4S,5S)-2-propan-2-yl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11579233
(3S,4S)-3-prop-1-en-2-ylpiperidin-4-ol
CID 11629623
(2S,4S,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11701078
(2S,4R,5S)-2-methyl-5-prop-1-en-2-ylpiperidin-4-ol
CID 11708092

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol?
The IUPAC name of (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol (CID 11550177) is (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol.
What is the SMILES notation for (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol?
The canonical SMILES for (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol is C=C(C)[C@H]1CN[C@@H](C(C)(C)C)C[C@@H]1O.
What is the InChIKey of (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol?
The InChIKey is RECLRVYECDFKKO-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H23NO/c1-8(2)9-7-13-11(6-10(9)14)12(3,4)5/h9-11,13-14H,1,6-7H2,2-5H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol?
(2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol has a molecular weight of 197.32 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-2-tert-butyl-5-prop-1-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 11550177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).