methyl 1-(5-aminopentyl)piperidine-2-carboxylate

C12H24N2O2 — CID 115533674

IUPACmethyl 1-(5-aminopentyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCCCCN
InChIInChI=1S/C12H24N2O2/c1-16-12(15)11-7-3-6-10-14(11)9-5-2-4-8-13/h11H,2-10,13H2,1H3
InChIKeyPGGMBPAXFZJLCA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds6

About methyl 1-(5-aminopentyl)piperidine-2-carboxylate

methyl 1-(5-aminopentyl)piperidine-2-carboxylate (PubChem CID 115533674) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-(5-aminopentyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminopentyl)piperidine-2-carboxylate
PubChem CID115533674
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-(5-aminopentyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCCCCN
InChIInChI=1S/C12H24N2O2/c1-16-12(15)11-7-3-6-10-14(11)9-5-2-4-8-13/h11H,2-10,13H2,1H3
InChIKeyPGGMBPAXFZJLCA-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
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

methyl 1-(3-aminopropyl)pyrrolidine-2-carboxylate
CID 15879442
methyl (2R)-1-(2-fluoroethyl)piperidine-2-carboxylate
CID 80602594
methyl (2R)-1-(3-methylsulfanylpropyl)piperidine-2-carboxylate
CID 103737090
methyl (2R)-1-[4-(methylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115537915
methyl (2R)-1-(3-chloropropyl)pyrrolidine-2-carboxylate
CID 54569237
methyl 1-hept-6-enylpyrrolidine-2-carboxylate
CID 107010047
methyl 1-[4-(diethylamino)-4-oxobutyl]piperidine-2-carboxylate
CID 115536916
methyl 1-(4-phenylbutyl)piperidine-2-carboxylate
CID 114334490
methyl 1-(2-ethylsulfonylethyl)piperidine-2-carboxylate
CID 78993684
methyl (2R)-1-(2-methylsulfonylethyl)piperidine-2-carboxylate
CID 79833648
methyl (2R)-1-[2-(1-methylpiperidin-2-yl)ethyl]piperidine-2-carboxylate
CID 80711675
methyl 1-(3-amino-2-methylpropyl)piperidine-2-carboxylate
CID 115533667

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminopentyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-aminopentyl)piperidine-2-carboxylate (CID 115533674) is methyl 1-(5-aminopentyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-aminopentyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-aminopentyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1CCCCCN.
What is the InChIKey of methyl 1-(5-aminopentyl)piperidine-2-carboxylate?
The InChIKey is PGGMBPAXFZJLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-12(15)11-7-3-6-10-14(11)9-5-2-4-8-13/h11H,2-10,13H2,1H3.
What are the key properties of methyl 1-(5-aminopentyl)piperidine-2-carboxylate?
methyl 1-(5-aminopentyl)piperidine-2-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-aminopentyl)piperidine-2-carboxylate is sourced from PubChem (CID 115533674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).