butyl 4-amino-3-methoxypiperidine-1-carboxylate

C11H22N2O3 — CID 137371260

IUPACbutyl 4-amino-3-methoxypiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N)C(OC)C1
InChIInChI=1S/C11H22N2O3/c1-3-4-7-16-11(14)13-6-5-9(12)10(8-13)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyHUHLBNYPUBDDCA-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.97
Rot. Bonds4

About butyl 4-amino-3-methoxypiperidine-1-carboxylate

butyl 4-amino-3-methoxypiperidine-1-carboxylate (PubChem CID 137371260) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is butyl 4-amino-3-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-amino-3-methoxypiperidine-1-carboxylate
PubChem CID137371260
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namebutyl 4-amino-3-methoxypiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(N)C(OC)C1
InChIInChI=1S/C11H22N2O3/c1-3-4-7-16-11(14)13-6-5-9(12)10(8-13)15-2/h9-10H,3-8,12H2,1-2H3
InChIKeyHUHLBNYPUBDDCA-UHFFFAOYSA-N
XLogP0.97
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (3S,4R)-4-amino-3-ethoxypiperidine-1-carboxylate
CID 54237477
butyl 4-amino-3-phenylpiperidine-1-carboxylate
CID 155601155
tert-butyl 4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138108445
tert-butyl (3R,4S)-4-amino-3-methoxypiperidine-1-carboxylate;hydrochloride
CID 138393699
benzyl 4-amino-3-methoxypiperidine-1-carboxylate
CID 77271966
butyl 3-aminoazetidine-1-carboxylate
CID 68600726
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768
butyl 3-(ethylamino)pyrrolidine-1-carboxylate
CID 69158445
butyl 4-bromopiperidine-1-carboxylate
CID 21219163
1-O-butyl 3-O-methyl 4-methylpiperidine-1,3-dicarboxylate
CID 67068549
butyl aziridine-1-carboxylate
CID 12641
butyl 3-(hydroxymethyl)azetidine-1-carboxylate
CID 69261484

Frequently Asked Questions

What is the IUPAC name of butyl 4-amino-3-methoxypiperidine-1-carboxylate?
The IUPAC name of butyl 4-amino-3-methoxypiperidine-1-carboxylate (CID 137371260) is butyl 4-amino-3-methoxypiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-amino-3-methoxypiperidine-1-carboxylate?
The canonical SMILES for butyl 4-amino-3-methoxypiperidine-1-carboxylate is CCCCOC(=O)N1CCC(N)C(OC)C1.
What is the InChIKey of butyl 4-amino-3-methoxypiperidine-1-carboxylate?
The InChIKey is HUHLBNYPUBDDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-4-7-16-11(14)13-6-5-9(12)10(8-13)15-2/h9-10H,3-8,12H2,1-2H3.
What are the key properties of butyl 4-amino-3-methoxypiperidine-1-carboxylate?
butyl 4-amino-3-methoxypiperidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-amino-3-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 137371260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).