tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate

C17H35N3O2 — CID 172803875

IUPACtert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)N(C(C)C)C(C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-13(2)20(14(3)4)15(5)18-9-11-19(12-10-18)16(21)22-17(6,7)8/h13-15H,9-12H2,1-8H3
InChIKeyRFUFSUKLYVLJRM-UHFFFAOYSA-N
MW313.49 g/mol
LogP3.00
Rot. Bonds4

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

tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate (PubChem CID 172803875) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
PubChem CID172803875
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate
SMILESCC(C)N(C(C)C)C(C)N1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C17H35N3O2/c1-13(2)20(14(3)4)15(5)18-9-11-19(12-10-18)16(21)22-17(6,7)8/h13-15H,9-12H2,1-8H3
InChIKeyRFUFSUKLYVLJRM-UHFFFAOYSA-N
XLogP3.00
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-fluoroethyl)piperazine-1-carboxylate
CID 53421985
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CID 71823809
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
tert-butyl 4-(1-methoxy-3-methyl-1-oxobutan-2-yl)piperazine-1-carboxylate
CID 102205627
tert-butyl 4-[(2R)-4-hydroxybutan-2-yl]piperazine-1-carboxylate
CID 70034747
tert-butyl 4-(1,3-dichloropropan-2-yl)piperazine-1-carboxylate
CID 155146596
tert-butyl 4-[(2R)-2-aminopropanoyl]piperazine-1-carboxylate
CID 28505550
tert-butyl 4-[(2R)-5-hydroxypentan-2-yl]piperazine-1-carboxylate
CID 124907642
tert-butyl 4-hexan-2-ylpiperazine-1-carboxylate
CID 134516807
tert-butyl 4-[(2R)-1-cyanopropan-2-yl]piperazine-1-carboxylate
CID 94920093
tert-butyl 4-but-3-yn-2-yl-1,4-diazepane-1-carboxylate
CID 155973668
tert-butyl 4-phosphanylpiperazine-1-carboxylate;ethane
CID 90729133

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate (CID 172803875) is tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate is CC(C)N(C(C)C)C(C)N1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate?
The InChIKey is RFUFSUKLYVLJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-13(2)20(14(3)4)15(5)18-9-11-19(12-10-18)16(21)22-17(6,7)8/h13-15H,9-12H2,1-8H3.
What are the key properties of tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate?
tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate has a molecular weight of 313.49 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[1-[di(propan-2-yl)amino]ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 172803875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).