[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine

C15H28N2O3 — CID 142385858

IUPAC[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine
SMILESCOCC#CCOCCOCCN1CCCC(CN)C1
InChIInChI=1S/C15H28N2O3/c1-18-8-2-3-9-19-11-12-20-10-7-17-6-4-5-15(13-16)14-17/h15H,4-14,16H2,1H3
InChIKeyGPSGXGIGVVNHEP-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.34
Rot. Bonds9

About [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine

[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine (PubChem CID 142385858) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine
PubChem CID142385858
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine
SMILESCOCC#CCOCCOCCN1CCCC(CN)C1
InChIInChI=1S/C15H28N2O3/c1-18-8-2-3-9-19-11-12-20-10-7-17-6-4-5-15(13-16)14-17/h15H,4-14,16H2,1H3
InChIKeyGPSGXGIGVVNHEP-UHFFFAOYSA-N
XLogP0.34
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(4-methoxybutyl)piperidin-3-yl]methanamine
CID 112702061
3-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567099
3-chloro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine
CID 104567095
3-(chloromethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183947
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperidine
CID 77147850
2-[2-(2-methoxyethoxy)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79885800
3-(2-chloroethyl)-1-[2-(3-methoxypropoxy)ethyl]piperidine
CID 103183960
2-[3-(aminomethyl)piperidin-1-yl]ethanethiol
CID 84655015
(3S)-3-(methoxymethyl)-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 100627852
[1-[2-(2-methoxyphenoxy)ethyl]piperidin-3-yl]methanamine
CID 19085480

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine (CID 142385858) is [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine is COCC#CCOCCOCCN1CCCC(CN)C1.
What is the InChIKey of [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine?
The InChIKey is GPSGXGIGVVNHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-18-8-2-3-9-19-11-12-20-10-7-17-6-4-5-15(13-16)14-17/h15H,4-14,16H2,1H3.
What are the key properties of [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine?
[1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine has a molecular weight of 284.40 g/mol, XLogP of 0.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(4-methoxybut-2-ynoxy)ethoxy]ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 142385858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).