methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid

C13H19N3O2 — CID 166059571

IUPACmethyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid
SMILESCc1cccc(C2(N(C)C(=O)O)CCCNC2)n1
InChIInChI=1S/C13H19N3O2/c1-10-5-3-6-11(15-10)13(16(2)12(17)18)7-4-8-14-9-13/h3,5-6,14H,4,7-9H2,1-2H3,(H,17,18)
InChIKeyKLSAIOVRWGFUKK-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.58
Rot. Bonds2

About methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid

methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid (PubChem CID 166059571) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Namemethyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid
PubChem CID166059571
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid
SMILESCc1cccc(C2(N(C)C(=O)O)CCCNC2)n1
InChIInChI=1S/C13H19N3O2/c1-10-5-3-6-11(15-10)13(16(2)12(17)18)7-4-8-14-9-13/h3,5-6,14H,4,7-9H2,1-2H3,(H,17,18)
InChIKeyKLSAIOVRWGFUKK-UHFFFAOYSA-N
XLogP1.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid?
The IUPAC name of methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid (CID 166059571) is methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid is Cc1cccc(C2(N(C)C(=O)O)CCCNC2)n1.
What is the InChIKey of methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid?
The InChIKey is KLSAIOVRWGFUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-5-3-6-11(15-10)13(16(2)12(17)18)7-4-8-14-9-13/h3,5-6,14H,4,7-9H2,1-2H3,(H,17,18).
What are the key properties of methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid?
methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid has a molecular weight of 249.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(6-methyl-2-pyridinyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 166059571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).