tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate

C19H28FN3O2 — CID 142528304

IUPACtert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(F)c3c(c2)CCC(N)C3)CC1
InChIInChI=1S/C19H28FN3O2/c1-19(2,3)25-18(24)23-8-6-22(7-9-23)15-10-13-4-5-14(21)11-16(13)17(20)12-15/h10,12,14H,4-9,11,21H2,1-3H3
InChIKeyWNEVWYFUNDULNZ-UHFFFAOYSA-N
MW349.45 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate

tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate (PubChem CID 142528304) has the molecular formula C19H28FN3O2 and a molecular weight of 349.45 g/mol. Its IUPAC name is tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate
PubChem CID142528304
Molecular FormulaC19H28FN3O2
Molecular Weight349.45 g/mol
Exact Mass349.22
IUPAC Nametert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2cc(F)c3c(c2)CCC(N)C3)CC1
InChIInChI=1S/C19H28FN3O2/c1-19(2,3)25-18(24)23-8-6-22(7-9-23)15-10-13-4-5-14(21)11-16(13)17(20)12-15/h10,12,14H,4-9,11,21H2,1-3H3
InChIKeyWNEVWYFUNDULNZ-UHFFFAOYSA-N
XLogP2.70
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate (CID 142528304) is tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2cc(F)c3c(c2)CCC(N)C3)CC1.
What is the InChIKey of tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate?
The InChIKey is WNEVWYFUNDULNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O2/c1-19(2,3)25-18(24)23-8-6-22(7-9-23)15-10-13-4-5-14(21)11-16(13)17(20)12-15/h10,12,14H,4-9,11,21H2,1-3H3.
What are the key properties of tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate has a molecular weight of 349.45 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(6-amino-4-fluoro-5,6,7,8-tetrahydronaphthalen-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 142528304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).