tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate

C15H31N3O2 — CID 82944881

IUPACtert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
SMILESCC(CN(C)C)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-12(10-17(5)6)16-13-8-7-9-18(11-13)14(19)20-15(2,3)4/h12-13,16H,7-11H2,1-6H3
InChIKeyJLCKCNIDKBBTRV-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.93
Rot. Bonds4

About tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate

tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate (PubChem CID 82944881) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
PubChem CID82944881
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
SMILESCC(CN(C)C)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H31N3O2/c1-12(10-17(5)6)16-13-8-7-9-18(11-13)14(19)20-15(2,3)4/h12-13,16H,7-11H2,1-6H3
InChIKeyJLCKCNIDKBBTRV-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
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tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
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tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
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tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
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tert-butyl 3-(octan-2-ylamino)azepane-1-carboxylate
CID 107249375
4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azepan-4-yl]amino]pentanoic acid
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tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylamino]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate (CID 82944881) is tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate is CC(CN(C)C)NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate?
The InChIKey is JLCKCNIDKBBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(10-17(5)6)16-13-8-7-9-18(11-13)14(19)20-15(2,3)4/h12-13,16H,7-11H2,1-6H3.
What are the key properties of tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate?
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate has a molecular weight of 285.43 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate is sourced from PubChem (CID 82944881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).