methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate

C15H29NO3 — CID 112748724

IUPACmethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
SMILESCCCCC(C(=O)OC)N1CCCCC1CC(C)O
InChIInChI=1S/C15H29NO3/c1-4-5-9-14(15(18)19-3)16-10-7-6-8-13(16)11-12(2)17/h12-14,17H,4-11H2,1-3H3
InChIKeyGMVMBQOEZPROJF-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.34
Rot. Bonds7

About methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate

methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate (PubChem CID 112748724) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
PubChem CID112748724
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Namemethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate
SMILESCCCCC(C(=O)OC)N1CCCCC1CC(C)O
InChIInChI=1S/C15H29NO3/c1-4-5-9-14(15(18)19-3)16-10-7-6-8-13(16)11-12(2)17/h12-14,17H,4-11H2,1-3H3
InChIKeyGMVMBQOEZPROJF-UHFFFAOYSA-N
XLogP2.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
The IUPAC name of methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate (CID 112748724) is methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate.
What is the SMILES notation for methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
The canonical SMILES for methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate is CCCCC(C(=O)OC)N1CCCCC1CC(C)O.
What is the InChIKey of methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
The InChIKey is GMVMBQOEZPROJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-4-5-9-14(15(18)19-3)16-10-7-6-8-13(16)11-12(2)17/h12-14,17H,4-11H2,1-3H3.
What are the key properties of methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate?
methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate has a molecular weight of 271.40 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]hexanoate is sourced from PubChem (CID 112748724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).