tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate

C18H35N3O2 — CID 103578415

IUPACtert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)C1CC(NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H35N3O2/c1-14(2)15-12-16(13-15)19-6-7-20-8-10-21(11-9-20)17(22)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyCNHJMWCBKHXOTE-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.56
Rot. Bonds5

About tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate

tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate (PubChem CID 103578415) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate
PubChem CID103578415
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)C1CC(NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C18H35N3O2/c1-14(2)15-12-16(13-15)19-6-7-20-8-10-21(11-9-20)17(22)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3
InChIKeyCNHJMWCBKHXOTE-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 3-(2-thiomorpholin-4-ylethylamino)azetidine-1-carboxylate
CID 102672860
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
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tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[2-(cyclobutylmethylamino)ethyl]piperazine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate (CID 103578415) is tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate is CC(C)C1CC(NCCN2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate?
The InChIKey is CNHJMWCBKHXOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(2)15-12-16(13-15)19-6-7-20-8-10-21(11-9-20)17(22)23-18(3,4)5/h14-16,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 103578415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).