tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate

C15H29N3O2 — CID 59427391

IUPACtert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCC1CNCCC1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-12-11-16-6-5-13(12)17-7-9-18(10-8-17)14(19)20-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyVHIPDQLJOAKQAW-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.54
Rot. Bonds1

About tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate

tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate (PubChem CID 59427391) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate
PubChem CID59427391
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Nametert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate
SMILESCC1CNCCC1N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H29N3O2/c1-12-11-16-6-5-13(12)17-7-9-18(10-8-17)14(19)20-15(2,3)4/h12-13,16H,5-11H2,1-4H3
InChIKeyVHIPDQLJOAKQAW-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate (CID 59427391) is tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate is CC1CNCCC1N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate?
The InChIKey is VHIPDQLJOAKQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12-11-16-6-5-13(12)17-7-9-18(10-8-17)14(19)20-15(2,3)4/h12-13,16H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate?
tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate has a molecular weight of 283.42 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylpiperidin-4-yl)piperazine-1-carboxylate is sourced from PubChem (CID 59427391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).