tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate

C18H36N2O2 — CID 103723941

IUPACtert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC(C)C(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)15(4)19-14(3)12-16-10-8-9-11-20(16)17(21)22-18(5,6)7/h13-16,19H,8-12H2,1-7H3
InChIKeyVXTIRWDDKWELPB-UHFFFAOYSA-N
MW312.50 g/mol
LogP4.19
Rot. Bonds5

About tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate

tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate (PubChem CID 103723941) has the molecular formula C18H36N2O2 and a molecular weight of 312.50 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
PubChem CID103723941
Molecular FormulaC18H36N2O2
Molecular Weight312.50 g/mol
Exact Mass312.28
IUPAC Nametert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate
SMILESCC(CC1CCCCN1C(=O)OC(C)(C)C)NC(C)C(C)C
InChIInChI=1S/C18H36N2O2/c1-13(2)15(4)19-14(3)12-16-10-8-9-11-20(16)17(21)22-18(5,6)7/h13-16,19H,8-12H2,1-7H3
InChIKeyVXTIRWDDKWELPB-UHFFFAOYSA-N
XLogP4.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.50
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-(hydroxyamino)propyl]piperidine-1-carboxylate
CID 82687309
tert-butyl 2-[2-[[(2S)-1-methoxy-1-oxopropan-2-yl]amino]propyl]piperidine-1-carboxylate
CID 103723958
tert-butyl 2-[2-(but-3-yn-2-ylamino)propyl]piperidine-1-carboxylate
CID 114415063
tert-butyl 2-[2-(1-methoxypropan-2-ylamino)propyl]azepane-1-carboxylate
CID 103724545
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
CID 103879002
tert-butyl 2-[2-(2,2,2-trifluoroethylamino)propyl]piperidine-1-carboxylate
CID 103723920
tert-butyl 2-[2-[(1-hydroxy-3-methoxypropan-2-yl)amino]propyl]piperidine-1-carboxylate
CID 106187174
tert-butyl 2-(2-aminopropyl)piperidine-1-carboxylate
CID 79549369
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[2-(4-aminobutylamino)propyl]piperidine-1-carboxylate
CID 103723964
tert-butyl 2-[2-(2-cyanoethylamino)propyl]piperidine-1-carboxylate
CID 79537473
tert-butyl 2-[2-[(2-hydroxycyclohexyl)methylamino]propyl]piperidine-1-carboxylate
CID 113248702

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate (CID 103723941) is tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate is CC(CC1CCCCN1C(=O)OC(C)(C)C)NC(C)C(C)C.
What is the InChIKey of tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate?
The InChIKey is VXTIRWDDKWELPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O2/c1-13(2)15(4)19-14(3)12-16-10-8-9-11-20(16)17(21)22-18(5,6)7/h13-16,19H,8-12H2,1-7H3.
What are the key properties of tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate?
tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate has a molecular weight of 312.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3-methylbutan-2-ylamino)propyl]piperidine-1-carboxylate is sourced from PubChem (CID 103723941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).