methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate

C15H23N3O2 — CID 59134682

IUPACmethyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1
InChIInChI=1S/C15H23N3O2/c1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyXJPPBTHZSRCZCV-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.50
Rot. Bonds4

About methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate

methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate (PubChem CID 59134682) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate
PubChem CID59134682
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1
InChIInChI=1S/C15H23N3O2/c1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKeyXJPPBTHZSRCZCV-UHFFFAOYSA-N
XLogP1.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]acetate
CID 47027590
1-hydroxy-5-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]pentan-2-one
CID 161072812
1-(6-propan-2-yl-3-pyridinyl)azepane
CID 156651925
methyl 2-[4-(4-cyanophenyl)piperazin-1-yl]acetate
CID 19391362
N-hydroxy-8-oxo-8-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]octanamide
CID 162697665
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
methyl 2-[4-[4-[(6-chloro-2-methylpyrimidin-4-yl)amino]phenyl]piperazin-1-yl]acetate
CID 133287561
5-(4,4-difluoropiperidin-1-yl)-2-propan-2-ylpyridine
CID 121261462
1-[4-[6-[(1S)-1-hydroxyethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83131846
propan-2-yl 2-[4-(4-methoxyphenyl)piperazin-1-yl]acetate
CID 60688983
1-[4-[6-[(1R)-1-aminoethyl]-3-pyridinyl]piperazin-1-yl]ethanone
CID 83122375
N-methylpropan-2-amine;4-(6-propan-2-yl-3-pyridinyl)morpholine
CID 156652466

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate (CID 59134682) is methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(c2ccc(C(C)C)nc2)CC1.
What is the InChIKey of methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate?
The InChIKey is XJPPBTHZSRCZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12(2)14-5-4-13(10-16-14)18-8-6-17(7-9-18)11-15(19)20-3/h4-5,10,12H,6-9,11H2,1-3H3.
What are the key properties of methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate?
methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate has a molecular weight of 277.37 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(6-propan-2-yl-3-pyridinyl)piperazin-1-yl]acetate is sourced from PubChem (CID 59134682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).