2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol

C15H27NO — CID 143055461

IUPAC2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol
SMILESC[C@@H]1CC(C2NCCCC2O)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C15H27NO/c1-9-7-10(12-8-11(9)15(12,2)3)14-13(17)5-4-6-16-14/h9-14,16-17H,4-8H2,1-3H3/t9-,10?,11-,12+,13?,14?/m1/s1
InChIKeyZZLDXTDUGPSENM-FSGHKPRWSA-N
MW237.39 g/mol
LogP2.42
Rot. Bonds1

About 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol

2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol (PubChem CID 143055461) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol.

Molecular Properties

Compound Name2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol
PubChem CID143055461
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol
SMILESC[C@@H]1CC(C2NCCCC2O)[C@@H]2C[C@H]1C2(C)C
InChIInChI=1S/C15H27NO/c1-9-7-10(12-8-11(9)15(12,2)3)14-13(17)5-4-6-16-14/h9-14,16-17H,4-8H2,1-3H3/t9-,10?,11-,12+,13?,14?/m1/s1
InChIKeyZZLDXTDUGPSENM-FSGHKPRWSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol?
The IUPAC name of 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol (CID 143055461) is 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol.
What is the SMILES notation for 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol?
The canonical SMILES for 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol is C[C@@H]1CC(C2NCCCC2O)[C@@H]2C[C@H]1C2(C)C.
What is the InChIKey of 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol?
The InChIKey is ZZLDXTDUGPSENM-FSGHKPRWSA-N. The full InChI is InChI=1S/C15H27NO/c1-9-7-10(12-8-11(9)15(12,2)3)14-13(17)5-4-6-16-14/h9-14,16-17H,4-8H2,1-3H3/t9-,10?,11-,12+,13?,14?/m1/s1.
What are the key properties of 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol?
2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol has a molecular weight of 237.39 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl]piperidin-3-ol is sourced from PubChem (CID 143055461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).