N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine

C14H28N2O — CID 65459890

IUPACN-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(CC2CCC2)CC1
InChIInChI=1S/C14H28N2O/c1-17-10-7-15-11-13-5-8-16(9-6-13)12-14-3-2-4-14/h13-15H,2-12H2,1H3
InChIKeyOEPMWGFJQRYUOR-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds7

About N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine

N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 65459890) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID65459890
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCN(CC2CCC2)CC1
InChIInChI=1S/C14H28N2O/c1-17-10-7-15-11-13-5-8-16(9-6-13)12-14-3-2-4-14/h13-15H,2-12H2,1H3
InChIKeyOEPMWGFJQRYUOR-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
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-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N,N-dimethylacetamide
CID 55257781
2-methoxy-N-[[1-[3-(2-methoxyethoxy)propyl]piperidin-4-yl]methyl]ethanamine
CID 103410149
N-(2-methoxyethyl)-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009404
1-(cyclopropylmethyl)-N-(2-methoxyethyl)piperidin-4-amine
CID 115705566
2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
2-methoxy-N-[[1-(2-methylsulfonylethyl)piperidin-4-yl]methyl]ethanamine
CID 62591708
N-[1-(cyclopropylmethyl)piperidin-4-yl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119854245
2-[4-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 63848275
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine (CID 65459890) is N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine is COCCNCC1CCN(CC2CCC2)CC1.
What is the InChIKey of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is OEPMWGFJQRYUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-17-10-7-15-11-13-5-8-16(9-6-13)12-14-3-2-4-14/h13-15H,2-12H2,1H3.
What are the key properties of N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine?
N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 65459890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).