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

C10H20N2O2 — CID 39870355

IUPACmethyl 1-(3-aminopropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN)CC1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-8,11H2,1H3
InChIKeyZEDHCRXBAWUUMZ-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.22
Rot. Bonds4

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

methyl 1-(3-aminopropyl)piperidine-4-carboxylate (PubChem CID 39870355) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 1-(3-aminopropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-aminopropyl)piperidine-4-carboxylate
PubChem CID39870355
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 1-(3-aminopropyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCN)CC1
InChIInChI=1S/C10H20N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-8,11H2,1H3
InChIKeyZEDHCRXBAWUUMZ-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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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-aminopropyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-aminopropyl)piperidine-4-carboxylate (CID 39870355) is methyl 1-(3-aminopropyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-aminopropyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-aminopropyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCCN)CC1.
What is the InChIKey of methyl 1-(3-aminopropyl)piperidine-4-carboxylate?
The InChIKey is ZEDHCRXBAWUUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-14-10(13)9-3-7-12(8-4-9)6-2-5-11/h9H,2-8,11H2,1H3.
What are the key properties of methyl 1-(3-aminopropyl)piperidine-4-carboxylate?
methyl 1-(3-aminopropyl)piperidine-4-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-4-carboxylate is sourced from PubChem (CID 39870355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).