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

C16H25ClN2O — CID 62581300

IUPACN-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-20-11-9-18-12-16-4-2-3-10-19(16)13-14-5-7-15(17)8-6-14/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyMCPUSLLBGIIIHE-UHFFFAOYSA-N
MW296.84 g/mol
LogP2.93
Rot. Bonds7

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

N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine (PubChem CID 62581300) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
PubChem CID62581300
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-20-11-9-18-12-16-4-2-3-10-19(16)13-14-5-7-15(17)8-6-14/h5-8,16,18H,2-4,9-13H2,1H3
InChIKeyMCPUSLLBGIIIHE-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.93
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-[(3,4-dimethylphenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62580803
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672
2-methoxy-N-[[1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 62582192
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine
CID 104798186
2-methoxy-N-[[1-(methoxymethyl)piperidin-2-yl]methyl]ethanamine
CID 65364306
N-[(1-benzylpiperidin-2-yl)methyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119861781
2-methoxy-N-[[1-(2-pyridin-4-ylethyl)piperidin-2-yl]methyl]ethanamine
CID 63853034
2-methoxy-N-[[1-[(1-methylimidazol-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 63853569
tert-butyl N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]carbamate
CID 83982523
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
CID 63386616
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
N-[[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]methyl]-2-methoxyethanamine
CID 102877018

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine (CID 62581300) is N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine is COCCNCC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
The InChIKey is MCPUSLLBGIIIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-20-11-9-18-12-16-4-2-3-10-19(16)13-14-5-7-15(17)8-6-14/h5-8,16,18H,2-4,9-13H2,1H3.
What are the key properties of N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine?
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine has a molecular weight of 296.84 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 62581300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).