tert-butyl formate;4-piperidin-1-ylbutan-1-amine

C14H30N2O2 — CID 174955961

IUPACtert-butyl formate;4-piperidin-1-ylbutan-1-amine
SMILESCC(C)(C)OC=O.NCCCCN1CCCCC1
InChIInChI=1S/C9H20N2.C5H10O2/c10-6-2-5-9-11-7-3-1-4-8-11;1-5(2,3)7-4-6/h1-10H2;4H,1-3H3
InChIKeyASFIOGXSLWSPNV-UHFFFAOYSA-N
MW258.41 g/mol
LogP2.17
Rot. Bonds5

About tert-butyl formate;4-piperidin-1-ylbutan-1-amine

tert-butyl formate;4-piperidin-1-ylbutan-1-amine (PubChem CID 174955961) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is tert-butyl formate;4-piperidin-1-ylbutan-1-amine.

Molecular Properties

Compound Nametert-butyl formate;4-piperidin-1-ylbutan-1-amine
PubChem CID174955961
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Nametert-butyl formate;4-piperidin-1-ylbutan-1-amine
SMILESCC(C)(C)OC=O.NCCCCN1CCCCC1
InChIInChI=1S/C9H20N2.C5H10O2/c10-6-2-5-9-11-7-3-1-4-8-11;1-5(2,3)7-4-6/h1-10H2;4H,1-3H3
InChIKeyASFIOGXSLWSPNV-UHFFFAOYSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-piperidin-1-ylnonan-1-amine
CID 123762077
7-(azepan-1-yl)heptan-1-amine
CID 28597448
tert-butyl formate;3-[(3S)-3-methylpiperazin-1-yl]propan-1-amine
CID 161168069
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
N'-[6-(azepan-1-yl)hexyl]hexane-1,6-diamine;ethane
CID 142304743
6-(azetidin-1-yl)hexan-1-amine
CID 18952651
2-methylpropane;3-piperidin-1-ylpropan-1-amine
CID 161163740
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
N'-[3-[3-(azacyclotridec-1-yl)propylamino]propyl]butane-1,4-diamine
CID 10992253
[4-(4-aminobutyl)-1,4-diazepan-1-yl]-(azepan-1-yl)methanone
CID 79157476
tert-butyl 4-(6-aminohexyl)piperazine-1-carboxylate
CID 171785165
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-piperidin-1-ylbutan-1-amine?
The IUPAC name of tert-butyl formate;4-piperidin-1-ylbutan-1-amine (CID 174955961) is tert-butyl formate;4-piperidin-1-ylbutan-1-amine.
What is the SMILES notation for tert-butyl formate;4-piperidin-1-ylbutan-1-amine?
The canonical SMILES for tert-butyl formate;4-piperidin-1-ylbutan-1-amine is CC(C)(C)OC=O.NCCCCN1CCCCC1.
What is the InChIKey of tert-butyl formate;4-piperidin-1-ylbutan-1-amine?
The InChIKey is ASFIOGXSLWSPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C5H10O2/c10-6-2-5-9-11-7-3-1-4-8-11;1-5(2,3)7-4-6/h1-10H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-piperidin-1-ylbutan-1-amine?
tert-butyl formate;4-piperidin-1-ylbutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-piperidin-1-ylbutan-1-amine is sourced from PubChem (CID 174955961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).