1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol

C18H32N2O2 — CID 10662610

IUPAC1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)/C(=N/OCC(O)CN1CCCCC1)C2
InChIInChI=1S/C18H32N2O2/c1-17(2)14-7-8-18(17,3)16(11-14)19-22-13-15(21)12-20-9-5-4-6-10-20/h14-15,21H,4-13H2,1-3H3/b19-16+/t14-,15?,18+/m0/s1
InChIKeyOPKNPGOPEBEZFF-CDCZSLQUSA-N
MW308.47 g/mol
LogP3.05
Rot. Bonds5

About 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol

1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (PubChem CID 10662610) has the molecular formula C18H32N2O2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.

Molecular Properties

Compound Name1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
PubChem CID10662610
Molecular FormulaC18H32N2O2
Molecular Weight308.47 g/mol
Exact Mass308.25
IUPAC Name1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol
SMILESCC1(C)[C@H]2CC[C@]1(C)/C(=N/OCC(O)CN1CCCCC1)C2
InChIInChI=1S/C18H32N2O2/c1-17(2)14-7-8-18(17,3)16(11-14)19-22-13-15(21)12-20-9-5-4-6-10-20/h14-15,21H,4-13H2,1-3H3/b19-16+/t14-,15?,18+/m0/s1
InChIKeyOPKNPGOPEBEZFF-CDCZSLQUSA-N
XLogP3.05
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The IUPAC name of 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol (CID 10662610) is 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol.
What is the SMILES notation for 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The canonical SMILES for 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is CC1(C)[C@H]2CC[C@]1(C)/C(=N/OCC(O)CN1CCCCC1)C2.
What is the InChIKey of 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
The InChIKey is OPKNPGOPEBEZFF-CDCZSLQUSA-N. The full InChI is InChI=1S/C18H32N2O2/c1-17(2)14-7-8-18(17,3)16(11-14)19-22-13-15(21)12-20-9-5-4-6-10-20/h14-15,21H,4-13H2,1-3H3/b19-16+/t14-,15?,18+/m0/s1.
What are the key properties of 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol?
1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol has a molecular weight of 308.47 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-3-[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]oxypropan-2-ol is sourced from PubChem (CID 10662610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).