[4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate

C14H25NO4 — CID 91244753

IUPAC[4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate
SMILESCC1CC(C(=O)OCN2CCC(CO)CC2)CCO1
InChIInChI=1S/C14H25NO4/c1-11-8-13(4-7-18-11)14(17)19-10-15-5-2-12(9-16)3-6-15/h11-13,16H,2-10H2,1H3
InChIKeyRYSQKULOEFAYQX-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.01
Rot. Bonds4

About [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate

[4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate (PubChem CID 91244753) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate.

Molecular Properties

Compound Name[4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate
PubChem CID91244753
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name[4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate
SMILESCC1CC(C(=O)OCN2CCC(CO)CC2)CCO1
InChIInChI=1S/C14H25NO4/c1-11-8-13(4-7-18-11)14(17)19-10-15-5-2-12(9-16)3-6-15/h11-13,16H,2-10H2,1H3
InChIKeyRYSQKULOEFAYQX-UHFFFAOYSA-N
XLogP1.01
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate?
The IUPAC name of [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate (CID 91244753) is [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate.
What is the SMILES notation for [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate?
The canonical SMILES for [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate is CC1CC(C(=O)OCN2CCC(CO)CC2)CCO1.
What is the InChIKey of [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate?
The InChIKey is RYSQKULOEFAYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-11-8-13(4-7-18-11)14(17)19-10-15-5-2-12(9-16)3-6-15/h11-13,16H,2-10H2,1H3.
What are the key properties of [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate?
[4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)piperidin-1-yl]methyl 2-methyloxane-4-carboxylate is sourced from PubChem (CID 91244753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).