imidazol-1-yl 2-piperidin-1-ylethyl carbonate

C11H17N3O3 — CID 174985112

IUPACimidazol-1-yl 2-piperidin-1-ylethyl carbonate
SMILESO=C(OCCN1CCCCC1)On1ccnc1
InChIInChI=1S/C11H17N3O3/c15-11(17-14-7-4-12-10-14)16-9-8-13-5-2-1-3-6-13/h4,7,10H,1-3,5-6,8-9H2
InChIKeyJASPIUMGKDGEPQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.93
Rot. Bonds4

About imidazol-1-yl 2-piperidin-1-ylethyl carbonate

imidazol-1-yl 2-piperidin-1-ylethyl carbonate (PubChem CID 174985112) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is imidazol-1-yl 2-piperidin-1-ylethyl carbonate.

Molecular Properties

Compound Nameimidazol-1-yl 2-piperidin-1-ylethyl carbonate
PubChem CID174985112
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameimidazol-1-yl 2-piperidin-1-ylethyl carbonate
SMILESO=C(OCCN1CCCCC1)On1ccnc1
InChIInChI=1S/C11H17N3O3/c15-11(17-14-7-4-12-10-14)16-9-8-13-5-2-1-3-6-13/h4,7,10H,1-3,5-6,8-9H2
InChIKeyJASPIUMGKDGEPQ-UHFFFAOYSA-N
XLogP0.93
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

imidazol-1-yl 4-piperidin-1-ylbutanoate
CID 174984921
ethyl imidazol-1-yl carbonate
CID 174735954
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
2-piperidin-1-ylethyl 2,3-dibromopropanoate
CID 162509304
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
1-(2-pyrrolidin-1-ylethyl)imidazole
CID 19964498
2-imidazol-1-yl-N-(2-piperidin-1-ylethyl)acetamide
CID 139978601
N-(3-piperidin-1-ylpropyl)imidazole-1-carboxamide
CID 81258075
N-(2-piperidin-1-ylethoxy)acetamide
CID 110642863
4-O-[2-(azepan-1-yl)ethyl] 1-O-methyl (E)-but-2-enedioate
CID 90453515
2-piperidin-1-ylethyl (Z)-3-methoxyprop-2-enoate
CID 149063981

Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl 2-piperidin-1-ylethyl carbonate?
The IUPAC name of imidazol-1-yl 2-piperidin-1-ylethyl carbonate (CID 174985112) is imidazol-1-yl 2-piperidin-1-ylethyl carbonate.
What is the SMILES notation for imidazol-1-yl 2-piperidin-1-ylethyl carbonate?
The canonical SMILES for imidazol-1-yl 2-piperidin-1-ylethyl carbonate is O=C(OCCN1CCCCC1)On1ccnc1.
What is the InChIKey of imidazol-1-yl 2-piperidin-1-ylethyl carbonate?
The InChIKey is JASPIUMGKDGEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-11(17-14-7-4-12-10-14)16-9-8-13-5-2-1-3-6-13/h4,7,10H,1-3,5-6,8-9H2.
What are the key properties of imidazol-1-yl 2-piperidin-1-ylethyl carbonate?
imidazol-1-yl 2-piperidin-1-ylethyl carbonate has a molecular weight of 239.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl 2-piperidin-1-ylethyl carbonate is sourced from PubChem (CID 174985112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).