tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate

C16H31N3O3 — CID 103618127

IUPACtert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-7-4-14(5-8-19)17-6-9-18-10-12-21-13-11-18/h14,17H,4-13H2,1-3H3
InChIKeyCCOSJOFIRFVYTP-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.31
Rot. Bonds4

About tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate

tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate (PubChem CID 103618127) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
PubChem CID103618127
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Nametert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NCCN2CCOCC2)CC1
InChIInChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-7-4-14(5-8-19)17-6-9-18-10-12-21-13-11-18/h14,17H,4-13H2,1-3H3
InChIKeyCCOSJOFIRFVYTP-UHFFFAOYSA-N
XLogP1.31
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]carbamoyl]piperidine-1-carboxylate
CID 110625297
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tert-butyl 4-[3-(cyclopropylamino)propyl]piperazine-1-carboxylate
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tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
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tert-butyl 4-[(3-iodo-3-oxopropyl)amino]piperidine-1-carboxylate
CID 89193788
tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
CID 63303169
tert-butyl 3-[2-(oxan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 103699268
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
tert-butyl 4-(4-methylpentylamino)piperidine-1-carboxylate
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tert-butyl 4-[2-[(3-propan-2-ylcyclobutyl)amino]ethyl]piperazine-1-carboxylate
CID 103578415

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate (CID 103618127) is tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NCCN2CCOCC2)CC1.
What is the InChIKey of tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate?
The InChIKey is CCOSJOFIRFVYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,3)22-15(20)19-7-4-14(5-8-19)17-6-9-18-10-12-21-13-11-18/h14,17H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate?
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate has a molecular weight of 313.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 103618127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).