methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride

C17H34ClNO3 — CID 12005532

IUPACmethyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride
SMILESCOC(=O)CCCCCCCCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C17H33NO3.ClH/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;1H
InChIKeyAIJIEMFRLFYIFO-UHFFFAOYSA-N
MW335.92 g/mol
LogP3.55
Rot. Bonds11

About methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride

methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride (PubChem CID 12005532) has the molecular formula C17H34ClNO3 and a molecular weight of 335.92 g/mol. Its IUPAC name is methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride
PubChem CID12005532
Molecular FormulaC17H34ClNO3
Molecular Weight335.92 g/mol
Exact Mass335.22
IUPAC Namemethyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride
SMILESCOC(=O)CCCCCCCCC(O)CN1CCCCC1.Cl
InChIInChI=1S/C17H33NO3.ClH/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;1H
InChIKeyAIJIEMFRLFYIFO-UHFFFAOYSA-N
XLogP3.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.92
LogP ≤ 53.55
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

11-Diethylamino-10-hydroxy-undecanoic acid methyl ester
CID 16682308
Methyl 11-(dimethylamino)-10-hydroxyundecanoate
CID 3772671
Propyl 10-hydroxy-11-piperidin-1-ylundecanoate
CID 16193371
Triisopropanolamine stearate
CID 165801
C17H34Ino4
CID 16682274
2-Dodecanone, 12-(5-hydroxy-1,6-dimethyl-2-piperidinyl)-, (2S-(2alpha,5alpha,6alpha))-
CID 156624
SM-102
CID 126697616
Propyl 10-hydroxy-11-(piperidin-1-yl)undecanoate
CID 3927021
Einecs 300-103-3
CID 44151957
4-(12-Hydroxystearoyl)morpholine
CID 85832757
Morpholine-stearic acid
CID 123788836
Lipidv-004
CID 126697428

Frequently Asked Questions

What is the IUPAC name of methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride?
The IUPAC name of methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride (CID 12005532) is methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride.
What is the SMILES notation for methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride?
The canonical SMILES for methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride is COC(=O)CCCCCCCCC(O)CN1CCCCC1.Cl.
What is the InChIKey of methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride?
The InChIKey is AIJIEMFRLFYIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3.ClH/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;1H.
What are the key properties of methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride?
methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride has a molecular weight of 335.92 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 10-hydroxy-11-piperidin-1-ylundecanoate;hydrochloride is sourced from PubChem (CID 12005532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).