(6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate

C16H24N2O2 — CID 174623381

IUPAC(6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccc(C2CCNCC2)nc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(19)20-11-12-4-5-14(18-10-12)13-6-8-17-9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyBNSRAMISUCAEMO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.64
Rot. Bonds3

About (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate

(6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate (PubChem CID 174623381) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate
PubChem CID174623381
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCc1ccc(C2CCNCC2)nc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)15(19)20-11-12-4-5-14(18-10-12)13-6-8-17-9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3
InChIKeyBNSRAMISUCAEMO-UHFFFAOYSA-N
XLogP2.64
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-6-piperidin-4-ylpyridine-3-carboxamide
CID 73440684
1-(6-cyclopropyl-3-pyridinyl)propan-2-one
CID 83827442
4-[5-(methoxymethyl)-2-pyridinyl]cyclohexan-1-one
CID 142685354
3,3-dimethyl-2-[(1S)-2-(6-pyrrolidin-3-yl-3-pyridinyl)-1-(2H-tetrazol-5-yl)ethyl]butanoic acid
CID 118499984
ethyl 2-(2-piperidin-4-ylpyrimidin-5-yl)acetate
CID 165350016
(4-phenylmethoxyphenyl)methyl 2,2-dimethylpropanoate
CID 70968645
tert-butyl 2-[6-(2-oxo-1,3-diazinan-5-yl)-3-pyridinyl]acetate
CID 58386985
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
N,N-dimethyl-4-[(6-piperidin-4-yl-2-pyridinyl)oxymethyl]benzamide
CID 175451125
1-O-[(6-bromo-3-pyridinyl)methyl] 3-O-methyl 2,2-dimethylpropanedioate
CID 90712601
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485
2-[(4-methylphenyl)methyl]-5-piperidin-4-ylpyrazine;hydrochloride
CID 118741918

Frequently Asked Questions

What is the IUPAC name of (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate (CID 174623381) is (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCc1ccc(C2CCNCC2)nc1.
What is the InChIKey of (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate?
The InChIKey is BNSRAMISUCAEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)15(19)20-11-12-4-5-14(18-10-12)13-6-8-17-9-7-13/h4-5,10,13,17H,6-9,11H2,1-3H3.
What are the key properties of (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate?
(6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate has a molecular weight of 276.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-piperidin-4-yl-3-pyridinyl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174623381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).