methyl 4-(3-aminopropoxy)piperidine-1-carboxylate

C10H20N2O3 — CID 79737000

IUPACmethyl 4-(3-aminopropoxy)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C10H20N2O3/c1-14-10(13)12-6-3-9(4-7-12)15-8-2-5-11/h9H,2-8,11H2,1H3
InChIKeyHESSAIWLUPVVFB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.58
Rot. Bonds4

About methyl 4-(3-aminopropoxy)piperidine-1-carboxylate

methyl 4-(3-aminopropoxy)piperidine-1-carboxylate (PubChem CID 79737000) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 4-(3-aminopropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-aminopropoxy)piperidine-1-carboxylate
PubChem CID79737000
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 4-(3-aminopropoxy)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(OCCCN)CC1
InChIInChI=1S/C10H20N2O3/c1-14-10(13)12-6-3-9(4-7-12)15-8-2-5-11/h9H,2-8,11H2,1H3
InChIKeyHESSAIWLUPVVFB-UHFFFAOYSA-N
XLogP0.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.58
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

[4-(3-aminopropoxy)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79735842
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]acetamide
CID 79735173
1-[4-(3-aminopropoxy)piperidin-1-yl]prop-2-yn-1-one
CID 79735337
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-propoxyethanone
CID 103807741
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119661482
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
[4-(3-aminopropoxy)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone
CID 81484157
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methylsulfanylpropan-1-one;hydrochloride
CID 119664051
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-tert-butylacetamide
CID 79737359
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-propoxypropan-1-one
CID 79736848
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 119664074

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(3-aminopropoxy)piperidine-1-carboxylate (CID 79737000) is methyl 4-(3-aminopropoxy)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(3-aminopropoxy)piperidine-1-carboxylate is COC(=O)N1CCC(OCCCN)CC1.
What is the InChIKey of methyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
The InChIKey is HESSAIWLUPVVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-14-10(13)12-6-3-9(4-7-12)15-8-2-5-11/h9H,2-8,11H2,1H3.
What are the key properties of methyl 4-(3-aminopropoxy)piperidine-1-carboxylate?
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-aminopropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 79737000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).