methyl 1-(3-aminopropyl)piperidine-3-carboxylate

C10H20N2O2 — CID 115533707

IUPACmethyl 1-(3-aminopropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCCN)C1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)9-4-2-6-12(8-9)7-3-5-11/h9H,2-8,11H2,1H3
InChIKeyDAZWARSXQLADLM-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds4

About methyl 1-(3-aminopropyl)piperidine-3-carboxylate

methyl 1-(3-aminopropyl)piperidine-3-carboxylate (PubChem CID 115533707) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 1-(3-aminopropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-aminopropyl)piperidine-3-carboxylate
PubChem CID115533707
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 1-(3-aminopropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CCCN(CCCN)C1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)9-4-2-6-12(8-9)7-3-5-11/h9H,2-8,11H2,1H3
InChIKeyDAZWARSXQLADLM-UHFFFAOYSA-N
XLogP0.22
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
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 (3S)-1-(3-methylbut-3-enyl)piperidine-3-carboxylate
CID 104926803
methyl 1-(4-cyano-4-methylpentyl)piperidine-3-carboxylate
CID 79421855
methyl 1-(2-propan-2-yloxyethyl)piperidine-3-carboxylate
CID 78920654

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-aminopropyl)piperidine-3-carboxylate?
The IUPAC name of methyl 1-(3-aminopropyl)piperidine-3-carboxylate (CID 115533707) is methyl 1-(3-aminopropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-aminopropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-aminopropyl)piperidine-3-carboxylate is COC(=O)C1CCCN(CCCN)C1.
What is the InChIKey of methyl 1-(3-aminopropyl)piperidine-3-carboxylate?
The InChIKey is DAZWARSXQLADLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-10(13)9-4-2-6-12(8-9)7-3-5-11/h9H,2-8,11H2,1H3.
What are the key properties of methyl 1-(3-aminopropyl)piperidine-3-carboxylate?
methyl 1-(3-aminopropyl)piperidine-3-carboxylate has a molecular weight of 200.28 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-aminopropyl)piperidine-3-carboxylate is sourced from PubChem (CID 115533707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).