methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate

C17H33NO3 — CID 7182410

IUPACmethyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate
SMILESCOC(=O)CCCCCCCC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C17H33NO3/c1-21-17(20)12-8-5-3-2-4-7-11-16(19)15-18-13-9-6-10-14-18/h16,19H,2-15H2,1H3/t16-/m1/s1
InChIKeyPOKFWCMCOYWRBE-MRXNPFEDSA-N
MW299.46 g/mol
LogP3.13
Rot. Bonds11

About methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate

methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate (PubChem CID 7182410) has the molecular formula C17H33NO3 and a molecular weight of 299.46 g/mol. Its IUPAC name is methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate.

Molecular Properties

Compound Namemethyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate
PubChem CID7182410
Molecular FormulaC17H33NO3
Molecular Weight299.46 g/mol
Exact Mass299.25
IUPAC Namemethyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate
SMILESCOC(=O)CCCCCCCC[C@@H](O)CN1CCCCC1
InChIInChI=1S/C17H33NO3/c1-21-17(20)12-8-5-3-2-4-7-11-16(19)15-18-13-9-6-10-14-18/h16,19H,2-15H2,1H3/t16-/m1/s1
InChIKeyPOKFWCMCOYWRBE-MRXNPFEDSA-N
XLogP3.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 18,18-dihydroxyoctadecanoate
CID 151355235
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CID 43377737
methyl (9R)-9-hydroxydocosanoate
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methyl 10,18-dihydroxyoctadecanoate
CID 129219404
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9S)-9,16-dihydroxyhexadecanoate
CID 162875043
methyl 11-bromo-10-hydroxyundecanoate
CID 13032690
methyl 13-hydroxy-14-methoxytetradecanoate
CID 154249290
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 12-cyclopropyl-10-hydroxytridec-12-enoate
CID 10934911
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282

Frequently Asked Questions

What is the IUPAC name of methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate?
The IUPAC name of methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate (CID 7182410) is methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate.
What is the SMILES notation for methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate?
The canonical SMILES for methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate is COC(=O)CCCCCCCC[C@@H](O)CN1CCCCC1.
What is the InChIKey of methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate?
The InChIKey is POKFWCMCOYWRBE-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H33NO3/c1-21-17(20)12-8-5-3-2-4-7-11-16(19)15-18-13-9-6-10-14-18/h16,19H,2-15H2,1H3/t16-/m1/s1.
What are the key properties of methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate?
methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate has a molecular weight of 299.46 g/mol, XLogP of 3.13, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R)-10-hydroxy-11-piperidin-1-ylundecanoate is sourced from PubChem (CID 7182410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).