methyl 1-(5-aminopentyl)piperidine-3-carboxylate

C12H24N2O2 — CID 115533740

IUPACmethyl 1-(5-aminopentyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCCCCN)C1
InChIInChI=1S/C12H24N2O2/c1-16-12(15)11-6-5-9-14(10-11)8-4-2-3-7-13/h11H,2-10,13H2,1H3
InChIKeyDDWASZLCSNNNMU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About methyl 1-(5-aminopentyl)piperidine-3-carboxylate

methyl 1-(5-aminopentyl)piperidine-3-carboxylate (PubChem CID 115533740) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-(5-aminopentyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminopentyl)piperidine-3-carboxylate
PubChem CID115533740
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-(5-aminopentyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCCCCN)C1
InChIInChI=1S/C12H24N2O2/c1-16-12(15)11-6-5-9-14(10-11)8-4-2-3-7-13/h11H,2-10,13H2,1H3
InChIKeyDDWASZLCSNNNMU-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
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-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
methyl 1-(5-aminopentyl)piperidine-4-carboxylate
CID 63382770
methyl 1-(2-methoxyethyl)piperidine-3-carboxylate
CID 78920456
methyl (3S)-1-(3-cyanopropyl)piperidine-3-carboxylate
CID 79038062
methyl 1-[2-(2-methoxyethoxy)ethyl]piperidine-3-carboxylate
CID 79884507
methyl (3S)-1-(2-ethoxyethyl)piperidine-3-carboxylate
CID 79038653
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115537485
methyl (3S)-1-(2-morpholin-4-ylethyl)piperidine-3-carboxylate
CID 79037896
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminopentyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(5-aminopentyl)piperidine-3-carboxylate (CID 115533740) is methyl 1-(5-aminopentyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-aminopentyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-aminopentyl)piperidine-3-carboxylate is COC(=O)C1CCCN(CCCCCN)C1.
What is the InChIKey of methyl 1-(5-aminopentyl)piperidine-3-carboxylate?
The InChIKey is DDWASZLCSNNNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-12(15)11-6-5-9-14(10-11)8-4-2-3-7-13/h11H,2-10,13H2,1H3.
What are the key properties of methyl 1-(5-aminopentyl)piperidine-3-carboxylate?
methyl 1-(5-aminopentyl)piperidine-3-carboxylate has a molecular weight of 228.34 g/mol, XLogP of 1.00, 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-3-carboxylate is sourced from PubChem (CID 115533740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).