1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine

C15H22ClNO — CID 63972516

IUPAC1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(c2ccc(CCl)cc2C)CC1
InChIInChI=1S/C15H22ClNO/c1-12-9-14(10-16)3-4-15(12)17-7-5-13(6-8-17)11-18-2/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyJIIHZELIPGVZLA-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.60
Rot. Bonds4

About 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine

1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine (PubChem CID 63972516) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
PubChem CID63972516
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(c2ccc(CCl)cc2C)CC1
InChIInChI=1S/C15H22ClNO/c1-12-9-14(10-16)3-4-15(12)17-7-5-13(6-8-17)11-18-2/h3-4,9,13H,5-8,10-11H2,1-2H3
InChIKeyJIIHZELIPGVZLA-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[4-[4-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]propan-2-amine
CID 63980311
1-[4-(bromomethyl)-2-methylphenyl]-3-(methoxymethyl)pyrrolidine
CID 107084059
1-[4-(chloromethyl)-2-methylphenyl]azocane
CID 63539921
N-[[4-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylphenyl]methyl]-2-methylpropan-2-amine
CID 64597182
[4-[3-(methoxymethyl)piperidin-1-yl]-3-methylphenyl]methanamine
CID 106587897
1-[2-bromo-4-(chloromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 114062586
1-[4-(chloromethyl)-2-fluorophenyl]-3-(methoxymethyl)piperidine
CID 106587689
1-[2-chloro-4-(chloromethyl)phenyl]-4-ethylpiperidine
CID 81151438
N-[[4-(4-ethylpiperidin-1-yl)-3-methylphenyl]methyl]-2-methoxyethanamine
CID 63060255
1-[4-(chloromethyl)-2-methylphenyl]-4-(2-methylpropyl)piperazine
CID 62775865
1-[4-(chloromethyl)-2-(trifluoromethyl)phenyl]-3-(methoxymethyl)piperidine
CID 106587694
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118

Frequently Asked Questions

What is the IUPAC name of 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine?
The IUPAC name of 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine (CID 63972516) is 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine is COCC1CCN(c2ccc(CCl)cc2C)CC1.
What is the InChIKey of 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine?
The InChIKey is JIIHZELIPGVZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-12-9-14(10-16)3-4-15(12)17-7-5-13(6-8-17)11-18-2/h3-4,9,13H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine?
1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine has a molecular weight of 267.80 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(chloromethyl)-2-methylphenyl]-4-(methoxymethyl)piperidine is sourced from PubChem (CID 63972516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).