(1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol

C17H33NO2 — CID 67189682

IUPAC(1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(C1CCCCC1)[C@@H]1CCCNC1
InChIInChI=1S/C17H33NO2/c1-20-13-6-5-11-17(19,15-8-3-2-4-9-15)16-10-7-12-18-14-16/h15-16,18-19H,2-14H2,1H3/t16-,17-/m1/s1
InChIKeyJYSLAJJGFCMHEX-IAGOWNOFSA-N
MW283.46 g/mol
LogP3.11
Rot. Bonds7

About (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol

(1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (PubChem CID 67189682) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
PubChem CID67189682
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name(1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol
SMILESCOCCCC[C@@](O)(C1CCCCC1)[C@@H]1CCCNC1
InChIInChI=1S/C17H33NO2/c1-20-13-6-5-11-17(19,15-8-3-2-4-9-15)16-10-7-12-18-14-16/h15-16,18-19H,2-14H2,1H3/t16-,17-/m1/s1
InChIKeyJYSLAJJGFCMHEX-IAGOWNOFSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The IUPAC name of (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol (CID 67189682) is (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol.
What is the SMILES notation for (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The canonical SMILES for (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is COCCCC[C@@](O)(C1CCCCC1)[C@@H]1CCCNC1.
What is the InChIKey of (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
The InChIKey is JYSLAJJGFCMHEX-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H33NO2/c1-20-13-6-5-11-17(19,15-8-3-2-4-9-15)16-10-7-12-18-14-16/h15-16,18-19H,2-14H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol?
(1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexyl-5-methoxy-1-[(3R)-piperidin-3-yl]pentan-1-ol is sourced from PubChem (CID 67189682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).