ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid

C14H21N3O2 — CID 67136421

IUPACethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESCCN(C(=O)O)C1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-3-17(14(18)19)12-7-9-16(10-8-12)13-6-4-5-11(2)15-13/h4-6,12H,3,7-10H2,1-2H3,(H,18,19)
InChIKeyXSXBBHMSGZAESB-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.36
Rot. Bonds3

About ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid

ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid (PubChem CID 67136421) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nameethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
PubChem CID67136421
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid
SMILESCCN(C(=O)O)C1CCN(c2cccc(C)n2)CC1
InChIInChI=1S/C14H21N3O2/c1-3-17(14(18)19)12-7-9-16(10-8-12)13-6-4-5-11(2)15-13/h4-6,12H,3,7-10H2,1-2H3,(H,18,19)
InChIKeyXSXBBHMSGZAESB-UHFFFAOYSA-N
XLogP2.36
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,1,3-trimethyl-3-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]urea
CID 166603331
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
methyl 1-(6-methyl-2-pyridinyl)piperidine-4-carboxylate
CID 62007370
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
2-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]butan-1-amine
CID 69036700
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-ol
CID 103801636
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
2-(azetidin-1-yl)-6-methylpyridine
CID 54182749
(2-amino-2-oxoethyl)-[1-(6-phenyl-2-pyridinyl)piperidin-4-yl]carbamic acid
CID 67137713
ethyl 1-(6-methyl-2-pyridinyl)piperidine-3-carboxylate
CID 62005482
(3R)-1-(6-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 67001485
6-(4-propan-2-ylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 103496539

Frequently Asked Questions

What is the IUPAC name of ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The IUPAC name of ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid (CID 67136421) is ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid.
What is the SMILES notation for ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The canonical SMILES for ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid is CCN(C(=O)O)C1CCN(c2cccc(C)n2)CC1.
What is the InChIKey of ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
The InChIKey is XSXBBHMSGZAESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-17(14(18)19)12-7-9-16(10-8-12)13-6-4-5-11(2)15-13/h4-6,12H,3,7-10H2,1-2H3,(H,18,19).
What are the key properties of ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid?
ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid has a molecular weight of 263.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamic acid is sourced from PubChem (CID 67136421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).