methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate

C14H25NO3 — CID 75434367

IUPACmethyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C14H25NO3/c1-18-14(17)10-11-6-8-15(9-7-11)12-4-2-3-5-13(12)16/h11-13,16H,2-10H2,1H3
InChIKeyMHOKJCRWCGYSAY-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.57
Rot. Bonds3

About methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate

methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate (PubChem CID 75434367) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
PubChem CID75434367
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate
SMILESCOC(=O)CC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C14H25NO3/c1-18-14(17)10-11-6-8-15(9-7-11)12-4-2-3-5-13(12)16/h11-13,16H,2-10H2,1H3
InChIKeyMHOKJCRWCGYSAY-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate?
The IUPAC name of methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate (CID 75434367) is methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate is COC(=O)CC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate?
The InChIKey is MHOKJCRWCGYSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-14(17)10-11-6-8-15(9-7-11)12-4-2-3-5-13(12)16/h11-13,16H,2-10H2,1H3.
What are the key properties of methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate?
methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate has a molecular weight of 255.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-hydroxycyclohexyl)piperidin-4-yl]acetate is sourced from PubChem (CID 75434367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).