[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid

C13H19N3O2 — CID 22052415

IUPAC[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
SMILESCc1cc(N2CCC(CNC(=O)O)CC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-10-8-12(2-5-14-10)16-6-3-11(4-7-16)9-15-13(17)18/h2,5,8,11,15H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyJVWDTZRNHNJNSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.87
Rot. Bonds3

About [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid

[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid (PubChem CID 22052415) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
PubChem CID22052415
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid
SMILESCc1cc(N2CCC(CNC(=O)O)CC2)ccn1
InChIInChI=1S/C13H19N3O2/c1-10-8-12(2-5-14-10)16-6-3-11(4-7-16)9-15-13(17)18/h2,5,8,11,15H,3-4,6-7,9H2,1H3,(H,17,18)
InChIKeyJVWDTZRNHNJNSS-UHFFFAOYSA-N
XLogP1.87
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methyl]pyrazine-2-carboxamide
CID 131927095
tert-butyl N-[[1-(2-chloro-4-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 121204851
N-[[1-(2-cyano-4-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102736284
[1-(3-bromo-2-pyridinyl)piperidin-4-yl]methylcarbamic acid
CID 67136498
methyl 4-[4-(methylaminomethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 66287702
[1-(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-4-yl]methylcarbamic acid
CID 67136127
2-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]propanamide
CID 139934483
4-chloro-1-(2-methyl-4-pyridinyl)azepane
CID 131020856
4-ethyl-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 136520406
4-[4-[[3-(2-ethylimidazol-1-yl)propanoylamino]methyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 131924590
1-(3,4-dimethylphenyl)-3-[(1-pyridin-4-ylpiperidin-4-yl)methyl]urea
CID 86263595
tert-butyl N-[(3R)-1-(2-methyl-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 165092295

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid (CID 22052415) is [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid is Cc1cc(N2CCC(CNC(=O)O)CC2)ccn1.
What is the InChIKey of [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid?
The InChIKey is JVWDTZRNHNJNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-12(2-5-14-10)16-6-3-11(4-7-16)9-15-13(17)18/h2,5,8,11,15H,3-4,6-7,9H2,1H3,(H,17,18).
What are the key properties of [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid?
[1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid has a molecular weight of 249.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-4-pyridinyl)piperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 22052415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).