2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine

C14H28N2O2 — CID 107137622

IUPAC2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(C2CCCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-9-6-15-10-13-4-2-7-16(11-13)14-5-3-8-18-12-14/h13-15H,2-12H2,1H3
InChIKeyBCTOTYKBZNWNRP-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.11
Rot. Bonds6

About 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 107137622) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID107137622
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(C2CCCOC2)C1
InChIInChI=1S/C14H28N2O2/c1-17-9-6-15-10-13-4-2-7-16(11-13)14-5-3-8-18-12-14/h13-15H,2-12H2,1H3
InChIKeyBCTOTYKBZNWNRP-UHFFFAOYSA-N
XLogP1.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.11
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

2-methoxy-N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]ethanamine
CID 62593612
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
2-methoxy-N-[[1-(oxan-4-ylsulfonyl)piperidin-3-yl]methyl]ethanamine
CID 63880331
N-[[1-(cyclopropylmethyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591849
1,3,4,5,7,8,9,9a-octahydropyrrolo[2,1-c][1,4]oxazepine
CID 122672073
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
methyl 1-(oxan-3-yl)pyrrolidine-3-carboxylate
CID 103738651
2-methoxy-N-[[1-(3-methylbutyl)piperidin-3-yl]methyl]ethanamine
CID 62593435
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-3-yl]methyl]ethanamine
CID 82887872
N-(cyclopropylmethyl)-2-methoxyethanamine
CID 19353678
2-(2-methoxyethylamino)-1-(oxan-3-yl)ethanone
CID 107138436
N-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine (CID 107137622) is 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(C2CCCOC2)C1.
What is the InChIKey of 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is BCTOTYKBZNWNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-17-9-6-15-10-13-4-2-7-16(11-13)14-5-3-8-18-12-14/h13-15H,2-12H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 256.39 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(oxan-3-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 107137622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).