tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate

C18H35N3O2 — CID 107241518

IUPACtert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
SMILESCC(CC1CCCCN1)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-14(12-15-8-5-6-10-19-15)20-16-9-7-11-21(13-16)17(22)23-18(2,3)4/h14-16,19-20H,5-13H2,1-4H3
InChIKeyJFXWOFAMRITCRE-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.90
Rot. Bonds4

About tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate

tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate (PubChem CID 107241518) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
PubChem CID107241518
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nametert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate
SMILESCC(CC1CCCCN1)NC1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H35N3O2/c1-14(12-15-8-5-6-10-19-15)20-16-9-7-11-21(13-16)17(22)23-18(2,3)4/h14-16,19-20H,5-13H2,1-4H3
InChIKeyJFXWOFAMRITCRE-UHFFFAOYSA-N
XLogP2.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(1-pyrrolidin-2-ylpropan-2-ylamino)azepane-1-carboxylate
CID 107255060
tert-butyl 6-(1-piperidin-2-ylpropan-2-ylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238586
tert-butyl 3-(1-morpholin-3-ylpropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239334
tert-butyl 3-[1-(dimethylamino)propan-2-ylamino]piperidine-1-carboxylate
CID 82944881
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(octan-2-ylamino)azepane-1-carboxylate
CID 107249375
tert-butyl 3-[(pyrrolidin-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 107246528
tert-butyl 3-(1-cyclopropylethylamino)azepane-1-carboxylate
CID 103729707
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 4-(pentan-2-ylamino)azepane-1-carboxylate
CID 103980373
tert-butyl 3-[1-(cyclohexylamino)ethyl]piperidine-1-carboxylate
CID 103649308
tert-butyl (3R)-3-propan-2-yl-1,4-diazocane-1-carboxylate
CID 131227852

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate (CID 107241518) is tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate is CC(CC1CCCCN1)NC1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
The InChIKey is JFXWOFAMRITCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-14(12-15-8-5-6-10-19-15)20-16-9-7-11-21(13-16)17(22)23-18(2,3)4/h14-16,19-20H,5-13H2,1-4H3.
What are the key properties of tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate?
tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate has a molecular weight of 325.50 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-piperidin-2-ylpropan-2-ylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107241518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).