methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate

C14H21N3O2 — CID 165380767

IUPACmethyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1
InChIInChI=1S/C14H21N3O2/c1-11(2)12-4-5-13(15-10-12)16-6-8-17(9-7-16)14(18)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyYIQCAFODCXRTNS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.09
Rot. Bonds2

About methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate

methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 165380767) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID165380767
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1
InChIInChI=1S/C14H21N3O2/c1-11(2)12-4-5-13(15-10-12)16-6-8-17(9-7-16)14(18)19-3/h4-5,10-11H,6-9H2,1-3H3
InChIKeyYIQCAFODCXRTNS-UHFFFAOYSA-N
XLogP2.09
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[5-(difluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 67284193
4-(5-cyano-2-pyridinyl)-N-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxamide
CID 139548010
1-phenyl-4-(5-propan-2-yl-2-pyridinyl)piperazine
CID 155403124
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
5-propan-2-yl-N-[[1-(5-propan-2-yl-2-pyridinyl)piperidin-4-yl]methyl]pyridine-2-carboxamide
CID 166045151
ethyl 4-[5-[(4-propan-2-ylphenyl)carbamoyl]pyrazin-2-yl]piperazine-1-carboxylate
CID 109286341
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
1-[4-[5-[(R)-amino(phenyl)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 124503003
2-(4-propan-2-ylphenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 27809887
3-methyl-1-(5-propan-2-yl-2-pyridinyl)azetidin-3-ol
CID 176651247

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate (CID 165380767) is methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate is COC(=O)N1CCN(c2ccc(C(C)C)cn2)CC1.
What is the InChIKey of methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is YIQCAFODCXRTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(2)12-4-5-13(15-10-12)16-6-8-17(9-7-16)14(18)19-3/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate?
methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-propan-2-yl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 165380767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).