3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine

C15H32N2O2 — CID 103411120

IUPAC3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCOCCCN(CC1CCNCC1)C(C)C
InChIInChI=1S/C15H32N2O2/c1-14(2)17(9-4-10-19-12-11-18-3)13-15-5-7-16-8-6-15/h14-16H,4-13H2,1-3H3
InChIKeyRSKLYSOZYHBDIR-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine

3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine (PubChem CID 103411120) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
PubChem CID103411120
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine
SMILESCOCCOCCCN(CC1CCNCC1)C(C)C
InChIInChI=1S/C15H32N2O2/c1-14(2)17(9-4-10-19-12-11-18-3)13-15-5-7-16-8-6-15/h14-16H,4-13H2,1-3H3
InChIKeyRSKLYSOZYHBDIR-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
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

N-(2-ethoxyethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79713909
N-methyl-4-[piperidin-4-ylmethyl(propan-2-yl)amino]butanamide
CID 79714818
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
N'-(cyclopropylmethyl)-N-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62563452
N-[2-(2-methoxyethoxy)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106614604
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
N-(2-chloroethyl)-3-(2-methoxyethoxy)-N-propan-2-ylpropan-1-amine
CID 103413010
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 103181621
N-[2-(3-methoxypropoxy)ethyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 103181619
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine (CID 103411120) is 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine is COCCOCCCN(CC1CCNCC1)C(C)C.
What is the InChIKey of 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
The InChIKey is RSKLYSOZYHBDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-14(2)17(9-4-10-19-12-11-18-3)13-15-5-7-16-8-6-15/h14-16H,4-13H2,1-3H3.
What are the key properties of 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine?
3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103411120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).