1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine

C16H34N2O3 — CID 104560353

IUPAC1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
SMILESCCCCOCCOCCOCCN1CCC(NC)CC1
InChIInChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18-7-5-16(17-2)6-8-18/h16-17H,3-15H2,1-2H3
InChIKeyLYOBWRKJTPZUDE-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.52
Rot. Bonds13

About 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine

1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine (PubChem CID 104560353) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
PubChem CID104560353
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine
SMILESCCCCOCCOCCOCCN1CCC(NC)CC1
InChIInChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18-7-5-16(17-2)6-8-18/h16-17H,3-15H2,1-2H3
InChIKeyLYOBWRKJTPZUDE-UHFFFAOYSA-N
XLogP1.52
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl]-N-propan-2-ylpiperidin-4-amine
CID 155405108
1-(3-ethoxypropyl)-N-methylpiperidin-4-amine
CID 43315421
1-dodecyl-N-methylpiperidin-4-amine
CID 63400682
1-(3-butoxypropyl)-N-ethylpiperidin-4-amine
CID 113481126
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]piperidin-4-amine
CID 104560351
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
1-(2-butoxyethyl)piperidin-4-ol
CID 61067988
1-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidin-4-amine
CID 103815473
methyl 1-(2-butoxyethyl)piperidine-4-carboxylate
CID 61067326
1,3,5-tris(2-butoxyethyl)-1,3,5-triazinane
CID 142761173
1-(2-butoxyethyl)-4-(2-chloroethyl)piperazine
CID 63386670
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine (CID 104560353) is 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine is CCCCOCCOCCOCCN1CCC(NC)CC1.
What is the InChIKey of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
The InChIKey is LYOBWRKJTPZUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-3-4-10-19-12-14-21-15-13-20-11-9-18-7-5-16(17-2)6-8-18/h16-17H,3-15H2,1-2H3.
What are the key properties of 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine?
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine has a molecular weight of 302.46 g/mol, XLogP of 1.52, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 104560353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).