methyl 1-(5-aminopentyl)piperidine-4-carboxylate

C12H24N2O2 — CID 63382770

IUPACmethyl 1-(5-aminopentyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCCCN)CC1
InChIInChI=1S/C12H24N2O2/c1-16-12(15)11-5-9-14(10-6-11)8-4-2-3-7-13/h11H,2-10,13H2,1H3
InChIKeyZRYRKYAKENZWMC-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.00
Rot. Bonds6

About methyl 1-(5-aminopentyl)piperidine-4-carboxylate

methyl 1-(5-aminopentyl)piperidine-4-carboxylate (PubChem CID 63382770) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 1-(5-aminopentyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-aminopentyl)piperidine-4-carboxylate
PubChem CID63382770
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 1-(5-aminopentyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CCCCCN)CC1
InChIInChI=1S/C12H24N2O2/c1-16-12(15)11-5-9-14(10-6-11)8-4-2-3-7-13/h11H,2-10,13H2,1H3
InChIKeyZRYRKYAKENZWMC-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-(5-aminopentyl)piperidine-3-carboxylate
CID 115533740
methyl 1-(4-aminobutyl)piperidine-3-carboxylate
CID 115533732
methyl 1-[3-(dimethylamino)propyl]piperidine-4-carboxylate
CID 115630551
methyl 1-(4-methylpentyl)piperidine-4-carboxylate
CID 83161732
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
methyl 1-(2-ethoxyethyl)piperidine-4-carboxylate
CID 60691218
methyl 1-(3-aminopropyl)piperidine-3-carboxylate
CID 115533707
N-[[1-(4-aminobutyl)piperidin-4-yl]methyl]acetamide
CID 102736096
methyl 1-hexylpyrrolidine-3-carboxylate
CID 79002814
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
4-(3-methoxypyrrolidin-1-yl)butan-1-amine
CID 69155262
methyl 1-(2-methylsulfanyloxyethyl)piperidine-4-carboxylate
CID 166152765

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-aminopentyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(5-aminopentyl)piperidine-4-carboxylate (CID 63382770) is methyl 1-(5-aminopentyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(5-aminopentyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(5-aminopentyl)piperidine-4-carboxylate is COC(=O)C1CCN(CCCCCN)CC1.
What is the InChIKey of methyl 1-(5-aminopentyl)piperidine-4-carboxylate?
The InChIKey is ZRYRKYAKENZWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-16-12(15)11-5-9-14(10-6-11)8-4-2-3-7-13/h11H,2-10,13H2,1H3.
What are the key properties of methyl 1-(5-aminopentyl)piperidine-4-carboxylate?
methyl 1-(5-aminopentyl)piperidine-4-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-4-carboxylate is sourced from PubChem (CID 63382770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).