N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine

C13H25ClN2O — CID 106438729

IUPACN-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(CC(C)=CCl)C1
InChIInChI=1S/C13H25ClN2O/c1-12(8-14)10-16-6-3-4-13(11-16)9-15-5-7-17-2/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyDYQNALBNVUAZAO-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.08
Rot. Bonds7

About N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine

N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine (PubChem CID 106438729) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
PubChem CID106438729
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCN(CC(C)=CCl)C1
InChIInChI=1S/C13H25ClN2O/c1-12(8-14)10-16-6-3-4-13(11-16)9-15-5-7-17-2/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyDYQNALBNVUAZAO-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.08
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
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 63849542
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-[[1-(2-ethylbutyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 82925348
2-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-N-(3-methylbutan-2-yl)acetamide
CID 63847459
N-[[1-(3-ethoxypropyl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65175473
2-methoxy-N-[[1-(4-methylpentyl)piperidin-3-yl]methyl]ethanamine
CID 83158446
2-methoxy-N-[[1-(2-propan-2-yloxyethyl)piperidin-3-yl]methyl]ethanamine
CID 62592907
N-[[1-[(4-iodophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 65479448
N-[[1-[(4-bromophenyl)methyl]piperidin-3-yl]methyl]-2-methoxyethanamine
CID 62591485
(3R)-1-(3-chloro-2-methylprop-2-enyl)piperidin-3-amine
CID 106439538

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine (CID 106438729) is N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCN(CC(C)=CCl)C1.
What is the InChIKey of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is DYQNALBNVUAZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClN2O/c1-12(8-14)10-16-6-3-4-13(11-16)9-15-5-7-17-2/h8,13,15H,3-7,9-11H2,1-2H3.
What are the key properties of N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine?
N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 260.81 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-chloro-2-methylprop-2-enyl)piperidin-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106438729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).