1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol

C15H25NO — CID 782542

IUPAC1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol
SMILESCC1(C)[C@H]2CC=C(CN3CCC(O)CC3)[C@@H]1C2
InChIInChI=1S/C15H25NO/c1-15(2)12-4-3-11(14(15)9-12)10-16-7-5-13(17)6-8-16/h3,12-14,17H,4-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyNNERQESYPIHJCJ-JSGCOSHPSA-N
MW235.37 g/mol
LogP2.44
Rot. Bonds2

About 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol

1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol (PubChem CID 782542) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol
PubChem CID782542
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol
SMILESCC1(C)[C@H]2CC=C(CN3CCC(O)CC3)[C@@H]1C2
InChIInChI=1S/C15H25NO/c1-15(2)12-4-3-11(14(15)9-12)10-16-7-5-13(17)6-8-16/h3,12-14,17H,4-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyNNERQESYPIHJCJ-JSGCOSHPSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol (CID 782542) is 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol is CC1(C)[C@H]2CC=C(CN3CCC(O)CC3)[C@@H]1C2.
What is the InChIKey of 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol?
The InChIKey is NNERQESYPIHJCJ-JSGCOSHPSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2)12-4-3-11(14(15)9-12)10-16-7-5-13(17)6-8-16/h3,12-14,17H,4-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol?
1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol has a molecular weight of 235.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol is sourced from PubChem (CID 782542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).