(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate

C12H16N2O3 — CID 58270753

IUPAC(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(O)CC2)cn1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-11(8-13-9)17-12(16)14-6-4-10(15)5-7-14/h2-3,8,10,15H,4-7H2,1H3
InChIKeySVKCXKSBSBFCIO-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.35
Rot. Bonds1

About (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate

(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate (PubChem CID 58270753) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
PubChem CID58270753
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate
SMILESCc1ccc(OC(=O)N2CCC(O)CC2)cn1
InChIInChI=1S/C12H16N2O3/c1-9-2-3-11(8-13-9)17-12(16)14-6-4-10(15)5-7-14/h2-3,8,10,15H,4-7H2,1H3
InChIKeySVKCXKSBSBFCIO-UHFFFAOYSA-N
XLogP1.35
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate (CID 58270753) is (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate is Cc1ccc(OC(=O)N2CCC(O)CC2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate?
The InChIKey is SVKCXKSBSBFCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-2-3-11(8-13-9)17-12(16)14-6-4-10(15)5-7-14/h2-3,8,10,15H,4-7H2,1H3.
What are the key properties of (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate?
(6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 58270753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).