2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine

C16H27N3O — CID 63853034

IUPAC2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCc1ccncc1
InChIInChI=1S/C16H27N3O/c1-20-13-10-18-14-16-4-2-3-11-19(16)12-7-15-5-8-17-9-6-15/h5-6,8-9,16,18H,2-4,7,10-14H2,1H3
InChIKeyRZAIXDNZCPMQQJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.71
Rot. Bonds8

About 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine (PubChem CID 63853034) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
PubChem CID63853034
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1CCc1ccncc1
InChIInChI=1S/C16H27N3O/c1-20-13-10-18-14-16-4-2-3-11-19(16)12-7-15-5-8-17-9-6-15/h5-6,8-9,16,18H,2-4,7,10-14H2,1H3
InChIKeyRZAIXDNZCPMQQJ-UHFFFAOYSA-N
XLogP1.71
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.71
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-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 103003262
2-methoxy-N-[[1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 63854611
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62581300
[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methanol
CID 60649309
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
2-methoxy-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63853569
[1-(2-pyridin-4-ylethyl)azepan-2-yl]methanol
CID 116637315
N-[[1-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62580803
2-methoxy-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 82888085
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-2-yl]methyl]ethanamine
CID 65446383
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 104798186
N-[[1-(2-methoxyethyl)piperidin-2-yl]methyl]propan-1-amine
CID 62580938

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine (CID 63853034) is 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1CCc1ccncc1.
What is the InChIKey of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is RZAIXDNZCPMQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-20-13-10-18-14-16-4-2-3-11-19(16)12-7-15-5-8-17-9-6-15/h5-6,8-9,16,18H,2-4,7,10-14H2,1H3.
What are the key properties of 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 277.41 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 63853034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).