N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine

C13H28N2O — CID 106453503

IUPACN-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCCOCCN1CCC(CNCC)CC1
InChIInChI=1S/C13H28N2O/c1-3-10-16-11-9-15-7-5-13(6-8-15)12-14-4-2/h13-14H,3-12H2,1-2H3
InChIKeyZPXYMALHRQHBSH-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds8

About N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine

N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine (PubChem CID 106453503) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
PubChem CID106453503
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine
SMILESCCCOCCN1CCC(CNCC)CC1
InChIInChI=1S/C13H28N2O/c1-3-10-16-11-9-15-7-5-13(6-8-15)12-14-4-2/h13-14H,3-12H2,1-2H3
InChIKeyZPXYMALHRQHBSH-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(3-ethoxypropyl)piperidin-4-yl]methyl]ethanamine
CID 65175474
N-[(1-butylpiperidin-4-yl)methyl]ethanamine;molecular hydrogen
CID 143678489
2-[2-[4-(propylaminomethyl)piperidin-1-yl]ethoxy]ethanol
CID 63849785
2-[4-(ethylaminomethyl)piperidin-1-yl]ethanol
CID 63588121
2-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106453449
N-[[1-(4-methylpentyl)piperidin-4-yl]methyl]ethanamine
CID 83158561
N-ethyl-1-[1-(2-propoxyethyl)piperidin-4-yl]ethanamine
CID 106448993
2-[1-(2-propoxyethyl)pyrrolidin-3-yl]ethanol
CID 106456274
N-[[1-(3-methylsulfonylpropyl)piperidin-4-yl]methyl]ethanamine
CID 63191516
N-[[4-(2-propoxyethyl)morpholin-2-yl]methyl]ethanamine
CID 155404677
4-(2-bromoethoxy)-1-(2-propoxyethyl)piperidine
CID 106457799
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]piperidin-4-yl]methyl]propan-1-amine
CID 62591338

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine (CID 106453503) is N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine is CCCOCCN1CCC(CNCC)CC1.
What is the InChIKey of N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is ZPXYMALHRQHBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-3-10-16-11-9-15-7-5-13(6-8-15)12-14-4-2/h13-14H,3-12H2,1-2H3.
What are the key properties of N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-propoxyethyl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 106453503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).