methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate

C14H25NO3 — CID 69317059

IUPACmethyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CN2CCC(CO)CC2)CCCC1
InChIInChI=1S/C14H25NO3/c1-18-13(17)14(6-2-3-7-14)11-15-8-4-12(10-16)5-9-15/h12,16H,2-11H2,1H3
InChIKeyJOFQCNKZGWYZGK-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.42
Rot. Bonds4

About methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate

methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate (PubChem CID 69317059) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate
PubChem CID69317059
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namemethyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(CN2CCC(CO)CC2)CCCC1
InChIInChI=1S/C14H25NO3/c1-18-13(17)14(6-2-3-7-14)11-15-8-4-12(10-16)5-9-15/h12,16H,2-11H2,1H3
InChIKeyJOFQCNKZGWYZGK-UHFFFAOYSA-N
XLogP1.42
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate (CID 69317059) is methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate is COC(=O)C1(CN2CCC(CO)CC2)CCCC1.
What is the InChIKey of methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
The InChIKey is JOFQCNKZGWYZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-18-13(17)14(6-2-3-7-14)11-15-8-4-12(10-16)5-9-15/h12,16H,2-11H2,1H3.
What are the key properties of methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate?
methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[4-(hydroxymethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 69317059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).