tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate

C18H34N2O3 — CID 58786448

IUPACtert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-12-10-19(11-13-20)16(14-21)15-8-6-4-5-7-9-15/h15-16,21H,4-14H2,1-3H3
InChIKeyUTTJTRLPZJVTCP-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate

tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate (PubChem CID 58786448) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate
PubChem CID58786448
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCCC2)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-12-10-19(11-13-20)16(14-21)15-8-6-4-5-7-9-15/h15-16,21H,4-14H2,1-3H3
InChIKeyUTTJTRLPZJVTCP-UHFFFAOYSA-N
XLogP2.87
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate (CID 58786448) is tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(CO)C2CCCCCC2)CC1.
What is the InChIKey of tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate?
The InChIKey is UTTJTRLPZJVTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-12-10-19(11-13-20)16(14-21)15-8-6-4-5-7-9-15/h15-16,21H,4-14H2,1-3H3.
What are the key properties of tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate?
tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-cycloheptyl-2-hydroxyethyl)piperazine-1-carboxylate is sourced from PubChem (CID 58786448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).